ASE database

Displaying rows 526-550 out of 594
Formula ✕ Maximum force ✕ PBC ✕ Volume ✕ Dipole_val ✕ Energy ✕ Charge ✕
BeCu54 0.010 TTT 1730.483 -0.793 -195.504 0.000
Cu54B 0.005 TTT 1730.483 0.375 -197.683 0.000
Cu54C 0.009 TTT 1730.483 0.645 -199.306 0.000
Cu54N 0.005 TTT 1730.483 0.716 -199.897 0.000
Cu54O 0.013 TTT 1730.483 0.779 -199.470 0.000
Cu54F 0.010 TTT 1730.483 0.691 -197.506 0.000
Cu54Ne 0.010 TTT 1730.483 -0.008 -192.866 0.000
Cu54Na 0.006 TTT 1730.483 -4.509 -195.024 0.000
Cu54Mg 0.008 TTT 1730.483 -2.586 -194.558 0.000
AlCu54 0.008 TTT 1730.483 -0.999 -196.341 0.000
Cu54Si 0.010 TTT 1730.483 0.033 -197.812 0.000
Cu54P 0.010 TTT 1730.483 0.599 -198.589 0.000
Cu54S 0.008 TTT 1730.483 0.730 -198.348 0.000
Cu54Cl 0.009 TTT 1730.483 0.342 -196.487 0.000
Cu54Ar 0.011 TTT 1730.483 -0.060 -192.878 0.000
Cu54H 0.009 TTT 1730.483 0.018 -196.520 0.000
Cu54He 0.009 TTT 1730.483 -0.018 -192.846 0.000
Cu54Li 0.010 TTT 1730.483 -3.363 -195.476 0.000
BeCu54 0.010 TTT 1730.483 -0.802 -195.497 0.000
Cu54B 0.005 TTT 1730.483 0.352 -197.667 0.000
Cu54C 0.009 TTT 1730.483 0.620 -199.261 0.000
Cu54N 0.009 TTT 1730.483 0.718 -199.816 0.000
Cu54O 0.010 TTT 1730.483 0.820 -199.380 0.000
Cu54F 0.010 TTT 1730.483 0.747 -197.474 0.000
Cu54Ne 0.010 TTT 1730.483 -0.010 -192.866 0.000