# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgAu2Ta # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.802966269e+02 3.802966269e+02 1.30 3.531030582e+02 3.531030582e+02 1.32 3.279141332e+02 3.279141332e+02 1.34 3.045717482e+02 3.045717482e+02 1.36 2.829271224e+02 2.829271224e+02 1.38 2.628415342e+02 2.628415342e+02 1.40 2.441875622e+02 2.441875622e+02 1.42 2.268497014e+02 2.268497014e+02 1.44 2.107242277e+02 2.107242277e+02 1.46 1.957183615e+02 1.957183615e+02 1.48 1.817488632e+02 1.817488632e+02 1.50 1.687405201e+02 1.687405201e+02 1.52 1.566248896e+02 1.566248896e+02 1.54 1.453391862e+02 1.453391862e+02 1.56 1.348251115e+02 1.348251115e+02 1.58 1.250278144e+02 1.250278144e+02 1.60 1.158953566e+02 1.158953566e+02 1.62 1.073787500e+02 1.073787500e+02 1.64 9.943227191e+01 9.943227191e+01 1.66 9.201371763e+01 9.201371763e+01 1.68 8.508442512e+01 8.508442512e+01 1.70 7.860907979e+01 7.860907979e+01 1.72 7.255539378e+01 7.255539378e+01 1.74 6.689375547e+01 6.689375547e+01 1.76 6.159688832e+01 6.159688832e+01 1.78 5.663951525e+01 5.663951525e+01 1.80 5.200090802e+01 5.200090802e+01 1.82 4.766145248e+01 4.766145248e+01 1.84 4.361691661e+01 4.361691661e+01 1.86 3.985574193e+01 3.985574193e+01 1.88 3.635833841e+01 3.635833841e+01 1.90 3.310663328e+01 3.310663328e+01 1.92 3.008445412e+01 3.008445412e+01 1.94 2.727735704e+01 2.727735704e+01 1.96 2.467234993e+01 2.467234993e+01 1.98 2.225754760e+01 2.225754760e+01 2.00 2.002181404e+01 2.002181404e+01 2.02 1.795444948e+01 1.795444948e+01 2.04 1.604497032e+01 1.604497032e+01 2.06 1.428301183e+01 1.428301183e+01 2.08 1.265835494e+01 1.265835494e+01 2.10 1.116104418e+01 1.116104418e+01 2.12 9.781542054e+00 9.781542054e+00 2.14 8.510866997e+00 8.510866997e+00 2.16 7.340682470e+00 7.340682470e+00 2.18 6.263329126e+00 6.263329126e+00 2.20 5.271809399e+00 5.271809399e+00 2.22 4.359740488e+00 4.359740488e+00 2.24 3.521290228e+00 3.521290228e+00 2.26 2.751105976e+00 2.751105976e+00 2.28 2.044243644e+00 2.044243644e+00 2.30 1.396103210e+00 1.396103210e+00 2.32 8.023769587e-01 8.023769587e-01 2.34 2.590153895e-01 2.590153895e-01 2.36 -2.377875384e-01 -2.377875384e-01 2.38 -6.915927759e-01 -6.915927759e-01 2.40 -1.105705407e+00 -1.105705407e+00 2.42 -1.483164073e+00 -1.483164073e+00 2.44 -1.826710700e+00 -1.826710700e+00 2.46 -2.138747694e+00 -2.138747694e+00 2.48 -2.421701598e+00 -2.421701598e+00 2.50 -2.677796112e+00 -2.677796112e+00 2.52 -2.909051665e+00 -2.909051665e+00 2.54 -3.117329219e+00 -3.117329219e+00 2.56 -3.304366023e+00 -3.304366023e+00 2.58 -3.471769551e+00 -3.471769551e+00 2.60 -3.620836371e+00 -3.620836371e+00 2.62 -3.752750157e+00 -3.752750157e+00 2.64 -3.868691655e+00 -3.868691655e+00 2.66 -3.969803944e+00 -3.969803944e+00 2.68 -4.057163489e+00 -4.057163489e+00 2.70 -4.131762123e+00 -4.131762123e+00 2.72 -4.194501270e+00 -4.194501270e+00 2.74 -4.246196431e+00 -4.246196431e+00 2.76 -4.287587842e+00 -4.287587842e+00 2.78 -4.319353155e+00 -4.319353155e+00 2.80 -4.342119162e+00 -4.342119162e+00 2.82 -4.356471151e+00 -4.356471151e+00 2.84 -4.362959792e+00 -4.362959792e+00 2.86 -4.362215016e+00 -4.362215016e+00 2.88 -4.354728490e+00 -4.354728490e+00 2.90 -4.340842527e+00 -4.340842527e+00 2.92 -4.320907080e+00 -4.320907080e+00 2.94 -4.295277874e+00 -4.295277874e+00 2.96 -4.264315697e+00 -4.264315697e+00 2.98 -4.228386321e+00 -4.228386321e+00 3.00 -4.187860435e+00 -4.187860435e+00 3.02 -4.143137725e+00 -4.143137725e+00 3.04 -4.094682885e+00 -4.094682885e+00 3.06 -4.042743015e+00 -4.042743015e+00 3.08 -3.987545714e+00 -3.987545714e+00 3.10 -3.929322366e+00 -3.929322366e+00 3.12 -3.868298059e+00 -3.868298059e+00 3.14 -3.804684251e+00 -3.804684251e+00 3.16 -3.738676153e+00 -3.738676153e+00 3.18 -3.670464234e+00 -3.670464234e+00 3.20 -3.600235561e+00 -3.600235561e+00 3.22 -3.528171646e+00 -3.528171646e+00 3.24 -3.454456896e+00 -3.454456896e+00 3.26 -3.379286428e+00 -3.379286428e+00 3.28 -3.302871497e+00 -3.302871497e+00 3.30 -3.225441552e+00 -3.225441552e+00 3.32 -3.147242481e+00 -3.147242481e+00 3.34 -3.068531230e+00 -3.068531230e+00 3.36 -2.989567526e+00 -2.989567526e+00 3.38 -2.910603919e+00 -2.910603919e+00 3.40 -2.831875533e+00 -2.831875533e+00 3.42 -2.753590906e+00 -2.753590906e+00 3.44 -2.675925014e+00 -2.675925014e+00 3.46 -2.599015120e+00 -2.599015120e+00 3.48 -2.522959637e+00 -2.522959637e+00 3.50 -2.447819760e+00 -2.447819760e+00 3.52 -2.373623350e+00 -2.373623350e+00 3.54 -2.300370441e+00 -2.300370441e+00 3.56 -2.228039752e+00 -2.228039752e+00 3.58 -2.156595658e+00 -2.156595658e+00 3.60 -2.085995234e+00 -2.085995234e+00 3.62 -2.016195080e+00 -2.016195080e+00 3.64 -1.947157721e+00 -1.947157721e+00 3.66 -1.878857435e+00 -1.878857435e+00 3.68 -1.811285327e+00 -1.811285327e+00 3.70 -1.744453475e+00 -1.744453475e+00 3.72 -1.678397904e+00 -1.678397904e+00 3.74 -1.613180162e+00 -1.613180162e+00 3.76 -1.548887262e+00 -1.548887262e+00 3.78 -1.485629819e+00 -1.485629819e+00 3.80 -1.423538367e+00 -1.423538367e+00 3.82 -1.362757963e+00 -1.362757963e+00 3.84 -1.303441405e+00 -1.303441405e+00 3.86 -1.245741566e+00 -1.245741566e+00 3.88 -1.189803469e+00 -1.189803469e+00 3.90 -1.135756778e+00 -1.135756778e+00 3.92 -1.083709357e+00 -1.083709357e+00 3.94 -1.033742403e+00 -1.033742403e+00 3.96 -9.859074575e-01 -9.859074575e-01 3.98 -9.402254140e-01 -9.402254140e-01 4.00 -8.966873902e-01 -8.966873902e-01 4.02 -8.552571923e-01 -8.552571923e-01 4.04 -8.158749881e-01 -8.158749881e-01 4.06 -7.784617687e-01 -7.784617687e-01 4.08 -7.429241968e-01 -7.429241968e-01 4.10 -7.091594921e-01 -7.091594921e-01 4.12 -6.770601026e-01 -6.770601026e-01 4.14 -6.465179206e-01 -6.465179206e-01 4.16 -6.174279769e-01 -6.174279769e-01 4.18 -5.896914849e-01 -5.896914849e-01 4.20 -5.632181996e-01 -5.632181996e-01 4.22 -5.379280546e-01 -5.379280546e-01 4.24 -5.137520502e-01 -5.137520502e-01 4.26 -4.906323850e-01 -4.906323850e-01 4.28 -4.685218459e-01 -4.685218459e-01 4.30 -4.473825173e-01 -4.473825173e-01 4.32 -4.271839235e-01 -4.271839235e-01 4.34 -4.079007772e-01 -4.079007772e-01 4.36 -3.895105550e-01 -3.895105550e-01 4.38 -3.719911442e-01 -3.719911442e-01 4.40 -3.553187922e-01 -3.553187922e-01 4.42 -3.394665412e-01 -3.394665412e-01 4.44 -3.244032559e-01 -3.244032559e-01 4.46 -3.100932635e-01 -3.100932635e-01 4.48 -2.964965466e-01 -2.964965466e-01 4.50 -2.835693688e-01 -2.835693688e-01 4.52 -2.712651893e-01 -2.712651893e-01 4.54 -2.595357145e-01 -2.595357145e-01 4.56 -2.483319641e-01 -2.483319641e-01 4.58 -2.376052576e-01 -2.376052576e-01 4.60 -2.273080690e-01 -2.273080690e-01 4.62 -2.173947269e-01 -2.173947269e-01 4.64 -2.078219688e-01 -2.078219688e-01 4.66 -1.985493713e-01 -1.985493713e-01 4.68 -1.895396904e-01 -1.895396904e-01 4.70 -1.807591452e-01 -1.807591452e-01 4.72 -1.721776768e-01 -1.721776768e-01 4.74 -1.637692066e-01 -1.637692066e-01 4.76 -1.555119070e-01 -1.555119070e-01 4.78 -1.473884866e-01 -1.473884866e-01 4.80 -1.393864784e-01 -1.393864784e-01 4.82 -1.314985155e-01 -1.314985155e-01 4.84 -1.237225360e-01 -1.237225360e-01 4.86 -1.160619041e-01 -1.160619041e-01 4.88 -1.085253737e-01 -1.085253737e-01 4.90 -1.011268556e-01 -1.011268556e-01 4.92 -9.388494770e-02 -9.388494770e-02 4.94 -8.682220560e-02 -8.682220560e-02 4.96 -7.996415692e-02 -7.996415692e-02 4.98 -7.333809351e-02 -7.333809351e-02 5.00 -6.697170478e-02 -6.697170478e-02 5.02 -6.089164350e-02 -6.089164350e-02 5.04 -5.512212791e-02 -5.512212791e-02 5.06 -4.968369229e-02 -4.968369229e-02 5.08 -4.459210706e-02 -4.459210706e-02 5.10 -3.985761907e-02 -3.985761907e-02 5.12 -3.548515547e-02 -3.548515547e-02 5.14 -3.147394889e-02 -3.147394889e-02 5.16 -2.781783491e-02 -2.781783491e-02 5.18 -2.450584848e-02 -2.450584848e-02 5.20 -2.152296593e-02 -2.152296593e-02 5.22 -1.885061775e-02 -1.885061775e-02 5.24 -1.646856188e-02 -1.646856188e-02 5.26 -1.435522157e-02 -1.435522157e-02 5.28 -1.248824735e-02 -1.248824735e-02 5.30 -1.084521554e-02 -1.084521554e-02 5.32 -9.404189417e-03 -9.404189417e-03 5.34 -8.144145274e-03 -8.144145274e-03 5.36 -7.045274490e-03 -7.045274490e-03 5.38 -6.089177646e-03 -6.089177646e-03 5.40 -5.258969083e-03 -5.258969083e-03 5.42 -4.539310353e-03 -4.539310353e-03 5.44 -3.916389746e-03 -3.916389746e-03 5.46 -3.377862965e-03 -3.377862965e-03 5.48 -2.912767636e-03 -2.912767636e-03 5.50 -2.511421828e-03 -2.511421828e-03 5.52 -2.165314525e-03 -2.165314525e-03 5.54 -1.866993961e-03 -1.866993961e-03 5.56 -1.609958071e-03 -1.609958071e-03 5.58 -1.388549935e-03 -1.388549935e-03 5.60 -1.197860033e-03 -1.197860033e-03 5.62 -1.033636341e-03 -1.033636341e-03 5.64 -8.922026852e-04 -8.922026852e-04 5.66 -7.703853440e-04 -7.703853440e-04 5.68 -6.654476378e-04 -6.654476378e-04 5.70 -5.750320258e-04 -5.750320258e-04 5.72 -4.971091476e-04 -4.971091476e-04 5.74 -4.299331908e-04 -4.299331908e-04 5.76 -3.720029529e-04 -3.720029529e-04 5.78 -3.220279861e-04 -3.220279861e-04 5.80 -2.788992427e-04 -2.788992427e-04 5.82 -2.416636815e-04 -2.416636815e-04 5.84 -2.095023440e-04 -2.095023440e-04 5.86 -1.817114552e-04 -1.817114552e-04 5.88 -1.576861540e-04 -1.576861540e-04 5.90 -1.369065014e-04 -1.369065014e-04 5.92 -1.189254587e-04 -1.189254587e-04 5.94 -1.033585645e-04 -1.033585645e-04 5.96 -8.987507506e-05 -8.987507506e-05 5.98 -7.819036397e-05 -7.819036397e-05 6.00 -6.805940289e-05 -6.805940289e-05