ASE database

Displaying rows 501-8 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 ✕
-258.140 0.631 TTT 0.000 -258.140 13M vasp 4606.286 0.877 73 -252.094 0.000 -4.158 Cu72P 0.007 110 -1.888 1b
-257.602 0.628 TTT 0.000 -257.602 13M vasp 4607.372 0.983 73 -252.094 0.000 -4.563 Cu72S 0.005 110 -0.945 1b
-255.817 1.060 TTT 0.000 -255.817 13M vasp 4610.762 1.583 73 -252.094 0.000 -3.480 Cu72Cl 0.009 110 -0.243 1b
-252.163 -0.061 TTT 0.000 -252.163 13M vasp 4615.260 3.561 73 -252.094 0.000 -0.043 Cu72Ar 0.011 110 -0.025 1b
-255.116 0.728 TTT -0.000 -255.116 13M vasp 4576.320 1.515 73 -252.094 0.000 -1.905 Cu72H 0.006 110 -1.117 0t
-252.122 -0.030 TTT 0.000 -252.122 13M vasp 4579.315 3.582 73 -252.094 0.000 -0.029 Cu72He 0.009 110 0.002 0t
-254.178 -4.654 TTT -0.000 -254.178 13M vasp 4582.252 2.095 73 -252.094 0.000 -1.785 Cu72Li 0.004 110 -0.299 0t
-253.474 -0.984 TTT -0.000 -253.474 13M vasp 4584.324 1.719 73 -252.094 0.000 -1.340 BeCu72 0.013 110 -0.039 0t
-255.137 0.649 TTT -0.000 -255.137 13M vasp 4586.122 1.699 73 -252.094 0.000 -2.695 Cu72B 0.008 110 -0.349 0t
-256.266 1.506 TTT -0.000 -256.266 13M vasp 4587.323 1.526 73 -252.094 0.000 -2.924 Cu72C 0.010 110 -1.248 0t
-256.842 2.125 TTT -0.006 -256.842 13M vasp 4589.319 1.504 73 -252.094 0.000 -1.624 Cu72N 0.009 110 -3.124 0t
-257.085 2.704 TTT 0.000 -257.085 13M vasp 4591.311 1.636 73 -252.094 0.000 -3.458 Cu72O 0.007 110 -1.533 0t
-256.591 2.758 TTT 0.000 -256.591 13M vasp 4594.310 1.828 73 -252.094 0.000 -4.073 Cu72F 0.010 110 -0.424 0t
-252.138 -0.029 TTT -0.000 -252.138 13M vasp 4595.492 3.441 73 -252.094 0.000 -0.032 Cu72Ne 0.007 110 -0.013 0t
-253.859 -5.698 TTT -0.000 -253.859 13M vasp 4598.302 2.422 73 -252.094 0.000 -1.541 Cu72Na 0.009 110 -0.225 0t
-253.063 -2.721 TTT -0.000 -253.063 13M vasp 4599.617 2.196 73 -252.094 0.000 -0.965 Cu72Mg 0.006 110 -0.004 0t
-254.732 -1.130 TTT -0.000 -254.732 13M vasp 4602.294 2.110 73 -252.094 0.000 -2.343 AlCu72 0.010 110 -0.295 0t
-255.804 0.302 TTT -0.000 -255.804 13M vasp 4603.397 1.718 73 -252.094 0.000 -2.880 Cu72Si 0.013 110 -0.830 0t
-256.307 1.317 TTT -0.000 -256.307 13M vasp 4606.286 1.495 73 -252.094 0.000 -2.325 Cu72P 0.008 110 -1.888 0t
-256.293 2.164 TTT -0.000 -256.293 13M vasp 4607.372 1.748 73 -252.094 0.000 -3.255 Cu72S 0.009 110 -0.945 0t
-255.574 2.539 TTT -0.000 -255.574 13M vasp 4610.762 2.147 73 -252.094 0.000 -3.237 Cu72Cl 0.006 110 -0.243 0t
-252.148 -0.149 TTT 0.000 -252.148 13M vasp 4615.260 3.547 73 -252.094 0.000 -0.028 Cu72Ar 0.008 110 -0.025 0t
-196.524 0.013 TTT -0.000 -196.524 13M vasp 3432.492 0.915 55 -192.845 0.000 -2.559 Cu54H 0.005 111 -1.120 2h
-192.846 -0.021 TTT -0.000 -192.846 13M vasp 3435.487 3.701 55 -192.845 0.000 -0.002 Cu54He 0.010 111 0.002 2h
-195.478 -3.352 TTT 0.000 -195.478 13M vasp 3438.424 2.029 55 -192.845 0.000 -2.334 Cu54Li 0.006 111 -0.299 2h