ASE database

Displaying rows 101-31 out of 31
ads_E ✕ plane_index ✕ atom_E ✕ Age ✕ Calculator ✕ slab_E ✕ Dipole_val ✕ Energy ✕ Mass ✕ str_E ✕ Maximum force ✕ PBC ✕ Username ✕
-2.072 110 -0.225 13M vasp -218.527 -6.067 -220.823 17285.869 -220.823 0.009 TTT hecc
-1.742 110 -0.004 13M vasp -218.527 -3.492 -220.273 17285.869 -220.273 0.008 TTT hecc
-3.248 110 -0.295 13M vasp -218.527 -1.522 -222.069 17285.869 -222.069 0.007 TTT hecc
-3.917 110 -0.830 13M vasp -218.527 -0.561 -223.274 17285.869 -223.274 0.006 TTT hecc
-3.043 110 -1.888 13M vasp -218.527 0.405 -223.458 17285.869 -223.458 0.009 TTT hecc
-3.556 110 -0.945 13M vasp -218.527 1.306 -223.028 17285.869 -223.028 0.007 TTT hecc
-2.909 110 -0.243 13M vasp -218.527 1.286 -221.679 17285.869 -221.679 0.009 TTT hecc
0.002 110 -0.025 13M vasp -218.527 -0.163 -218.551 17285.869 -218.551 0.007 TTT hecc
-2.132 110 -1.117 13M vasp -218.527 0.312 -221.776 17285.869 -221.776 0.006 TTT hecc
-0.005 110 0.002 13M vasp -218.527 -0.024 -218.530 17285.869 -218.530 0.008 TTT hecc
-2.185 110 -0.299 13M vasp -218.527 -5.675 -221.011 17285.869 -221.011 0.008 TTT hecc
-1.673 110 -0.039 13M vasp -218.527 -1.886 -220.240 17285.869 -220.240 0.006 TTT hecc
-3.045 110 -0.349 13M vasp -218.527 0.023 -221.920 17285.869 -221.920 0.005 TTT hecc
-2.830 110 -1.248 13M vasp -218.527 0.775 -222.605 17285.869 -222.605 0.006 TTT hecc
-0.972 110 -3.124 13M vasp -218.527 1.821 -222.623 17285.869 -222.623 0.008 TTT hecc
-2.543 110 -1.533 13M vasp -218.527 2.735 -222.603 17285.869 -222.603 0.008 TTT hecc
-3.298 110 -0.424 13M vasp -218.527 2.894 -222.249 17285.869 -222.249 0.007 TTT hecc
-0.007 110 -0.013 13M vasp -218.527 -0.020 -218.546 17285.869 -218.546 0.009 TTT hecc
-1.897 110 -0.225 13M vasp -218.527 -6.877 -220.649 17285.869 -220.649 0.009 TTT hecc
-1.261 110 -0.004 13M vasp -218.527 -3.881 -219.792 17285.869 -219.792 0.009 TTT hecc
-2.655 110 -0.295 13M vasp -218.527 -2.381 -221.476 17285.869 -221.476 0.010 TTT hecc
-2.818 110 -0.830 13M vasp -218.527 -1.395 -222.175 17285.869 -222.175 0.006 TTT hecc
-1.704 110 -1.888 13M vasp -218.527 0.382 -222.119 17285.869 -222.119 0.034 TTT hecc
-2.475 110 -0.945 13M vasp -218.527 2.053 -221.946 17285.869 -221.946 0.010 TTT hecc
-2.669 110 -0.243 13M vasp -218.527 2.575 -221.439 17285.869 -221.439 0.006 TTT hecc