ASE database

Displaying rows 451-475 out of 594
Formula ✕ Calculator ✕ Mass ✕ Maximum stress ✕ Energy ✕ Maximum force ✕
Cu72H vasp 4576.320 0.010 -255.415 0.007
Cu72He vasp 4579.315 0.010 -252.134 0.009
Cu72Li vasp 4582.252 0.009 -254.815 0.008
BeCu72 vasp 4584.324 0.009 -255.427 0.010
Cu72B vasp 4586.122 0.009 -257.801 0.009
Cu72C vasp 4587.323 0.009 -259.212 0.010
Cu72N vasp 4589.319 0.010 -259.365 0.007
Cu72O vasp 4591.311 0.010 -258.600 0.010
Cu72F vasp 4594.310 0.009 -256.596 0.008
Cu72Ne vasp 4595.492 0.009 -252.153 0.008
Cu72Na vasp 4598.302 0.009 -254.282 0.009
Cu72Mg vasp 4599.617 0.009 -254.080 0.010
AlCu72 vasp 4602.294 0.009 -256.161 0.006
Cu72Si vasp 4603.397 0.009 -257.851 0.009
Cu72P vasp 4606.286 0.009 -258.569 0.008
Cu72S vasp 4607.372 0.009 -257.977 0.009
Cu72Cl vasp 4610.762 0.009 -255.701 0.009
Cu72Ar vasp 4615.260 0.010 -252.160 0.013
Cu72H vasp 4576.320 0.009 -255.660 0.006
Cu72He vasp 4579.315 0.010 -252.135 0.010
Cu72Li vasp 4582.252 0.009 -254.271 0.008
BeCu72 vasp 4584.324 0.008 -253.940 0.008
Cu72B vasp 4586.122 0.006 -256.075 0.010
Cu72C vasp 4587.323 0.006 -259.005 0.006
Cu72N vasp 4589.319 0.008 -258.378 0.007