ASE database

Displaying rows 501-525 out of 594
↓ ID ✕ plane_index ✕ Dipole_val ✕ atom_E ✕ str_E ✕ distance ✕ Mass ✕ Energy ✕ PBC ✕ Age ✕ Charge ✕ ads_E ✕ slab_E ✕ Maximum force ✕ Volume ✕ Maximum stress ✕ Username ✕ ads_site ✕ Magnetic moment ✕ Calculator ✕
501 110 0.631 -1.888 -258.140 0.877 17285.869 -258.140 TTT 13M 0.000 -4.158 -252.094 0.007 2163.104 0.009 hecc 1b 0.000 vasp
502 110 0.628 -0.945 -257.602 0.983 17285.869 -257.602 TTT 13M 0.000 -4.563 -252.094 0.005 2163.104 0.008 hecc 1b 0.000 vasp
503 110 1.060 -0.243 -255.817 1.583 17285.869 -255.817 TTT 13M 0.000 -3.480 -252.094 0.009 2163.104 0.009 hecc 1b 0.000 vasp
504 110 -0.061 -0.025 -252.163 3.561 17285.869 -252.163 TTT 13M 0.000 -0.043 -252.094 0.011 2163.104 0.009 hecc 1b 0.000 vasp
505 110 0.728 -1.117 -255.116 1.515 17285.869 -255.116 TTT 13M 0.000 -1.905 -252.094 0.006 2163.104 0.009 hecc 0t -0.000 vasp
506 110 -0.030 0.002 -252.122 3.582 17285.869 -252.122 TTT 13M 0.000 -0.029 -252.094 0.009 2163.104 0.010 hecc 0t 0.000 vasp
507 110 -4.654 -0.299 -254.178 2.095 17285.869 -254.178 TTT 13M 0.000 -1.785 -252.094 0.004 2163.104 0.010 hecc 0t -0.000 vasp
508 110 -0.984 -0.039 -253.474 1.719 17285.869 -253.474 TTT 13M 0.000 -1.340 -252.094 0.013 2163.104 0.009 hecc 0t -0.000 vasp
509 110 0.649 -0.349 -255.137 1.699 17285.869 -255.137 TTT 13M 0.000 -2.695 -252.094 0.008 2163.104 0.010 hecc 0t -0.000 vasp
510 110 1.506 -1.248 -256.266 1.526 17285.869 -256.266 TTT 13M 0.000 -2.924 -252.094 0.010 2163.104 0.010 hecc 0t -0.000 vasp
511 110 2.125 -3.124 -256.842 1.504 17285.869 -256.842 TTT 13M 0.000 -1.624 -252.094 0.009 2163.104 0.010 hecc 0t -0.006 vasp
512 110 2.704 -1.533 -257.085 1.636 17285.869 -257.085 TTT 13M 0.000 -3.458 -252.094 0.007 2163.104 0.009 hecc 0t 0.000 vasp
513 110 2.758 -0.424 -256.591 1.828 17285.869 -256.591 TTT 13M 0.000 -4.073 -252.094 0.010 2163.104 0.009 hecc 0t 0.000 vasp
514 110 -0.029 -0.013 -252.138 3.441 17285.869 -252.138 TTT 13M 0.000 -0.032 -252.094 0.007 2163.104 0.010 hecc 0t -0.000 vasp
515 110 -5.698 -0.225 -253.859 2.422 17285.869 -253.859 TTT 13M 0.000 -1.541 -252.094 0.009 2163.104 0.010 hecc 0t -0.000 vasp
516 110 -2.721 -0.004 -253.063 2.196 17285.869 -253.063 TTT 13M 0.000 -0.965 -252.094 0.006 2163.104 0.009 hecc 0t -0.000 vasp
517 110 -1.130 -0.295 -254.732 2.110 17285.869 -254.732 TTT 13M 0.000 -2.343 -252.094 0.010 2163.104 0.010 hecc 0t -0.000 vasp
518 110 0.302 -0.830 -255.804 1.718 17285.869 -255.804 TTT 13M 0.000 -2.880 -252.094 0.013 2163.104 0.010 hecc 0t -0.000 vasp
519 110 1.317 -1.888 -256.307 1.495 17285.869 -256.307 TTT 13M 0.000 -2.325 -252.094 0.008 2163.104 0.010 hecc 0t -0.000 vasp
520 110 2.164 -0.945 -256.293 1.748 17285.869 -256.293 TTT 13M 0.000 -3.255 -252.094 0.009 2163.104 0.009 hecc 0t -0.000 vasp
521 110 2.539 -0.243 -255.574 2.147 17285.869 -255.574 TTT 13M 0.000 -3.237 -252.094 0.006 2163.104 0.009 hecc 0t -0.000 vasp
522 110 -0.149 -0.025 -252.148 3.547 17285.869 -252.148 TTT 13M 0.000 -0.028 -252.094 0.008 2163.104 0.010 hecc 0t 0.000 vasp
523 111 0.013 -1.120 -196.524 0.915 17285.869 -196.524 TTT 13M 0.000 -2.559 -192.845 0.005 1730.483 0.007 hecc 2h -0.000 vasp
524 111 -0.021 0.002 -192.846 3.701 17285.869 -192.846 TTT 13M 0.000 -0.002 -192.845 0.010 1730.483 0.007 hecc 2h -0.000 vasp
525 111 -3.352 -0.299 -195.478 2.029 17285.869 -195.478 TTT 13M 0.000 -2.334 -192.845 0.006 1730.483 0.008 hecc 2h 0.000 vasp