ASE database

Displaying rows 101-8 out of 8
str_E ✕ Dipole_val ✕ PBC ✕ Magnetic moment ✕ Energy ✕ Age ✕ Calculator ✕ Mass ✕ distance ✕ Number of atoms ✕ slab_E ✕ Charge ✕ ads_E ✕ Formula ✕ Maximum force ✕ plane_index ✕ atom_E ✕ ads_site ✕ Maximum stress ✕
-220.823 -6.067 TTT -0.000 -220.823 13M vasp 14204.583 2.409 73 -218.527 0.000 -2.072 Au72Na 0.009 110 -0.225 1b 0.014
-220.273 -3.492 TTT 0.000 -220.273 13M vasp 14205.898 1.938 73 -218.527 0.000 -1.742 Au72Mg 0.008 110 -0.004 1b 0.012
-222.069 -1.522 TTT -0.000 -222.069 13M vasp 14208.575 1.701 73 -218.527 0.000 -3.248 AlAu72 0.007 110 -0.295 1b 0.012
-223.274 -0.561 TTT -0.000 -223.274 13M vasp 14209.678 1.560 73 -218.527 0.000 -3.917 Au72Si 0.006 110 -0.830 1b 0.012
-223.458 0.405 TTT -0.003 -223.458 13M vasp 14212.567 1.549 73 -218.527 0.000 -3.043 Au72P 0.009 110 -1.888 1b 0.013
-223.028 1.306 TTT -0.000 -223.028 13M vasp 14213.653 1.636 73 -218.527 0.000 -3.556 Au72S 0.007 110 -0.945 1b 0.013
-221.679 1.286 TTT -0.000 -221.679 13M vasp 14217.043 1.936 73 -218.527 0.000 -2.909 Au72Cl 0.009 110 -0.243 1b 0.013
-218.551 -0.163 TTT -0.000 -218.551 13M vasp 14221.541 3.439 73 -218.527 0.000 0.002 Au72Ar 0.007 110 -0.025 1b 0.013
-221.776 0.312 TTT 0.000 -221.776 13M vasp 14182.601 1.599 73 -218.527 0.000 -2.132 Au72H 0.006 110 -1.117 0t 0.013
-218.530 -0.024 TTT 0.000 -218.530 13M vasp 14185.596 3.610 73 -218.527 0.000 -0.005 Au72He 0.008 110 0.002 0t 0.013
-221.011 -5.675 TTT -0.000 -221.011 13M vasp 14188.533 2.237 73 -218.527 0.000 -2.185 Au72Li 0.008 110 -0.299 0t 0.014
-220.240 -1.886 TTT -0.004 -220.240 13M vasp 14190.605 2.078 73 -218.527 0.000 -1.673 Au72Be 0.006 110 -0.039 0t 0.013
-221.920 0.023 TTT 0.000 -221.920 13M vasp 14192.403 1.927 73 -218.527 0.000 -3.045 Au72B 0.005 110 -0.349 0t 0.013
-222.605 0.775 TTT 0.001 -222.605 13M vasp 14193.604 1.835 73 -218.527 0.000 -2.830 Au72C 0.006 110 -1.248 0t 0.013
-222.623 1.821 TTT 0.000 -222.623 13M vasp 14195.600 1.836 73 -218.527 0.000 -0.972 Au72N 0.008 110 -3.124 0t 0.013
-222.603 2.735 TTT -0.000 -222.603 13M vasp 14197.592 1.889 73 -218.527 0.000 -2.543 Au72O 0.008 110 -1.533 0t 0.013
-222.249 2.894 TTT 0.000 -222.249 13M vasp 14200.591 2.038 73 -218.527 0.000 -3.298 Au72F 0.007 110 -0.424 0t 0.012
-218.546 -0.020 TTT -0.000 -218.546 13M vasp 14201.773 3.629 73 -218.527 0.000 -0.007 Au72Ne 0.009 110 -0.013 0t 0.013
-220.649 -6.877 TTT -0.000 -220.649 13M vasp 14204.583 2.544 73 -218.527 0.000 -1.897 Au72Na 0.009 110 -0.225 0t 0.014
-219.792 -3.881 TTT 0.000 -219.792 13M vasp 14205.898 2.384 73 -218.527 0.000 -1.261 Au72Mg 0.009 110 -0.004 0t 0.013
-221.476 -2.381 TTT 0.000 -221.476 13M vasp 14208.575 2.395 73 -218.527 0.000 -2.655 AlAu72 0.010 110 -0.295 0t 0.014
-222.175 -1.395 TTT -0.000 -222.175 13M vasp 14209.678 2.136 73 -218.527 0.000 -2.818 Au72Si 0.006 110 -0.830 0t 0.014
-222.119 0.382 TTT 0.000 -222.119 13M vasp 14212.567 2.139 73 -218.527 0.000 -1.704 Au72P 0.034 110 -1.888 0t 0.013
-221.946 2.053 TTT -0.000 -221.946 13M vasp 14213.653 2.212 73 -218.527 0.000 -2.475 Au72S 0.010 110 -0.945 0t 0.013
-221.439 2.575 TTT -0.000 -221.439 13M vasp 14217.043 2.331 73 -218.527 0.000 -2.669 Au72Cl 0.006 110 -0.243 0t 0.012