ASE database

Formula Age Maximum force atom_E str_E ads_E Maximum stress PBC Username Charge
Cu54Na 13M 0.009 -0.225 -195.024 -1.954 0.008 TTT hecc 0.000
Cu54Mg 13M 0.005 -0.004 -194.556 -1.707 0.007 TTT hecc 0.000
AlCu54 13M 0.008 -0.295 -196.324 -3.184 0.007 TTT hecc 0.000
Cu54Si 13M 0.009 -0.830 -197.777 -4.102 0.006 TTT hecc 0.000
Cu54P 13M 0.004 -1.888 -198.547 -3.815 0.006 TTT hecc 0.000
Cu54S 13M 0.009 -0.945 -198.308 -4.518 0.006 TTT hecc 0.000
Cu54Cl 13M 0.009 -0.243 -196.481 -3.393 0.006 TTT hecc 0.000
Cu54Ar 13M 0.009 -0.025 -192.878 -0.008 0.007 TTT hecc 0.000
Cu54H 13M 0.006 -1.120 -196.523 -2.559 0.007 TTT hecc 0.000
Cu54He 13M 0.006 0.002 -192.846 -0.003 0.007 TTT hecc 0.000
Cu54Li 13M 0.007 -0.299 -195.466 -2.322 0.008 TTT hecc 0.000
BeCu54 13M 0.009 -0.039 -195.474 -2.589 0.008 TTT hecc 0.000
Cu54B 13M 0.008 -0.349 -197.691 -4.498 0.008 TTT hecc 0.000
Cu54C 13M 0.010 -1.250 -199.256 -5.161 0.008 TTT hecc 0.000
Cu54N 13M 0.008 -3.120 -199.896 -3.931 0.005 TTT hecc 0.000
Cu54O 13M 0.007 -1.530 -199.469 -5.094 0.005 TTT hecc 0.000
Cu54F 13M 0.009 -0.424 -197.505 -4.236 0.006 TTT hecc 0.000
Cu54Ne 13M 0.007 -0.013 -192.866 -0.008 0.007 TTT hecc 0.000
Cu54Na 13M 0.006 -0.225 -195.018 -1.948 0.008 TTT hecc 0.000
Cu54Mg 13M 0.010 -0.004 -194.540 -1.691 0.008 TTT hecc 0.000
AlCu54 13M 0.010 -0.295 -196.341 -3.201 0.007 TTT hecc 0.000
Cu54Si 13M 0.010 -0.830 -197.812 -4.137 0.006 TTT hecc 0.000
Cu54P 13M 0.006 -1.890 -198.588 -3.853 0.006 TTT hecc 0.000
Cu54S 13M 0.008 -0.945 -198.347 -4.557 0.005 TTT hecc 0.000
Cu54Cl 13M 0.011 -0.243 -196.406 -3.318 0.006 TTT hecc 0.000