ASE database

Displaying rows 451-31 out of 31
ads_E ✕ plane_index ✕ atom_E ✕ Age ✕ Calculator ✕ slab_E ✕ Dipole_val ✕ Energy ✕ Mass ✕ str_E ✕ Maximum force ✕ PBC ✕ Username ✕ Magnetic moment ✕
-2.204 110 -1.117 13M vasp -252.094 -0.110 -255.415 17285.869 -255.415 0.007 TTT hecc -0.000
-0.042 110 0.002 13M vasp -252.094 -0.023 -252.134 17285.869 -252.134 0.009 TTT hecc -0.000
-2.422 110 -0.299 13M vasp -252.094 -2.330 -254.815 17285.869 -254.815 0.008 TTT hecc -0.000
-3.294 110 -0.039 13M vasp -252.094 0.062 -255.427 17285.869 -255.427 0.010 TTT hecc 0.000
-5.359 110 -0.349 13M vasp -252.094 0.700 -257.801 17285.869 -257.801 0.009 TTT hecc -0.000
-5.870 110 -1.248 13M vasp -252.094 0.668 -259.212 17285.869 -259.212 0.010 TTT hecc -0.000
-4.147 110 -3.124 13M vasp -252.094 0.515 -259.365 17285.869 -259.365 0.007 TTT hecc 0.000
-4.973 110 -1.533 13M vasp -252.094 0.437 -258.600 17285.869 -258.600 0.010 TTT hecc 0.000
-4.078 110 -0.424 13M vasp -252.094 0.738 -256.596 17285.869 -256.596 0.008 TTT hecc 0.000
-0.046 110 -0.013 13M vasp -252.094 -0.003 -252.153 17285.869 -252.153 0.008 TTT hecc -0.000
-1.964 110 -0.225 13M vasp -252.094 -3.960 -254.282 17285.869 -254.282 0.009 TTT hecc -0.000
-1.982 110 -0.004 13M vasp -252.094 -1.754 -254.080 17285.869 -254.080 0.010 TTT hecc -0.000
-3.772 110 -0.295 13M vasp -252.094 -0.100 -256.161 17285.869 -256.161 0.006 TTT hecc -0.000
-4.927 110 -0.830 13M vasp -252.094 0.607 -257.851 17285.869 -257.851 0.009 TTT hecc -0.000
-4.587 110 -1.888 13M vasp -252.094 0.832 -258.569 17285.869 -258.569 0.008 TTT hecc -0.000
-4.939 110 -0.945 13M vasp -252.094 0.656 -257.977 17285.869 -257.977 0.009 TTT hecc 0.000
-3.364 110 -0.243 13M vasp -252.094 0.690 -255.701 17285.869 -255.701 0.009 TTT hecc -0.000
-0.041 110 -0.025 13M vasp -252.094 -0.065 -252.160 17285.869 -252.160 0.013 TTT hecc 0.000
-2.449 110 -1.117 13M vasp -252.094 0.334 -255.660 17285.869 -255.660 0.006 TTT hecc 0.000
-0.043 110 0.002 13M vasp -252.094 -0.016 -252.135 17285.869 -252.135 0.010 TTT hecc -0.000
-1.878 110 -0.299 13M vasp -252.094 -4.327 -254.271 17285.869 -254.271 0.008 TTT hecc 0.000
-1.807 110 -0.039 13M vasp -252.094 -0.662 -253.940 17285.869 -253.940 0.008 TTT hecc 0.000
-3.632 110 -0.349 13M vasp -252.094 0.551 -256.075 17285.869 -256.075 0.010 TTT hecc 0.000
-5.663 110 -1.248 13M vasp -252.094 -0.158 -259.005 17285.869 -259.005 0.006 TTT hecc -0.000
-3.160 110 -3.124 13M vasp -252.094 1.547 -258.378 17285.869 -258.378 0.007 TTT hecc -0.000