ASE database

Displaying rows 76-8 out of 8
Energy ✕ Maximum stress ✕ Age ✕ Volume ✕ plane_index ✕ ads_E ✕ Calculator ✕ distance ✕ slab_E ✕ Magnetic moment ✕ PBC ✕ Dipole_val ✕ ads_site ✕ str_E ✕ atom_E ✕
-222.247 0.013 13M 3649.858 110 -3.681 vasp 0.376 -218.527 0.000 TTT -0.299 3b -222.247 -0.039
-224.037 0.012 13M 3649.858 110 -5.161 vasp 0.004 -218.527 0.000 TTT 0.021 3b -224.037 -0.349
-224.356 0.011 13M 3649.858 110 -4.581 vasp -0.057 -218.527 0.000 TTT 0.079 3b -224.356 -1.248
-223.581 0.012 13M 3649.858 110 -1.930 vasp 1.019 -218.527 0.000 TTT 0.957 3b -223.581 -3.124
-223.229 0.012 13M 3649.858 110 -3.169 vasp 1.128 -218.527 -0.000 TTT 1.357 3b -223.229 -1.533
-222.245 0.012 13M 3649.858 110 -3.294 vasp 1.287 -218.527 0.000 TTT 1.379 3b -222.245 -0.424
-218.548 0.013 13M 3649.858 110 -0.009 vasp 3.219 -218.527 0.000 TTT -0.009 3b -218.548 -0.013
-221.145 0.014 13M 3649.858 110 -2.393 vasp 1.783 -218.527 -0.000 TTT -3.991 3b -221.145 -0.225
-220.986 0.013 13M 3649.858 110 -2.455 vasp 1.048 -218.527 -0.000 TTT -2.085 3b -220.986 -0.004
-222.861 0.013 13M 3649.858 110 -4.039 vasp 0.555 -218.527 0.000 TTT -0.667 3b -222.861 -0.295
-223.955 0.013 13M 3649.858 110 -4.598 vasp 0.496 -218.527 -0.000 TTT -0.217 3b -223.955 -0.830
-223.843 0.012 13M 3649.858 110 -3.429 vasp 0.638 -218.527 -0.000 TTT -0.015 3b -223.843 -1.888
-222.907 0.012 13M 3649.858 110 -3.435 vasp 1.456 -218.527 -0.000 TTT 0.997 3b -222.907 -0.945
-221.497 0.012 13M 3649.858 110 -2.727 vasp 1.702 -218.527 -0.000 TTT 1.110 3b -221.497 -0.243
-218.552 0.013 13M 3649.858 110 0.000 vasp 3.199 -218.527 -0.000 TTT -0.110 3b -218.552 -0.025
-221.957 0.013 13M 3649.858 110 -2.313 vasp 1.011 -218.527 0.000 TTT 0.080 1b -221.957 -1.117
-218.530 0.013 13M 3649.858 110 -0.005 vasp 3.531 -218.527 0.000 TTT -0.023 1b -218.530 0.002
-221.258 0.014 13M 3649.858 110 -2.432 vasp 2.014 -218.527 -0.000 TTT -4.421 1b -221.258 -0.299
-221.998 0.012 13M 3649.858 110 -3.432 vasp 0.794 -218.527 -0.000 TTT -1.284 1b -221.998 -0.039
-224.163 0.012 13M 3649.858 110 -5.288 vasp -1.286 -218.527 -0.000 TTT -0.273 1b -224.163 -0.349
-224.114 0.012 13M 3649.858 110 -4.339 vasp 0.883 -218.527 -0.000 TTT 0.571 1b -224.114 -1.248
-223.914 0.013 13M 3649.858 110 -2.263 vasp 1.085 -218.527 0.000 TTT 1.173 1b -223.914 -3.124
-223.523 0.013 13M 3649.858 110 -3.463 vasp 1.199 -218.527 -0.000 TTT 1.637 1b -223.523 -1.533
-222.402 0.013 13M 3649.858 110 -3.451 vasp 1.545 -218.527 -0.000 TTT 1.741 1b -222.402 -0.424
-218.547 0.013 13M 3649.858 110 -0.007 vasp 3.558 -218.527 -0.000 TTT -0.015 1b -218.547 -0.013