# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1 # composition = AgHPd2 # 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 2022-05-24 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 3.428922268e+03 3.428922268e+03 1.06 3.182464994e+03 3.182464994e+03 1.08 2.954913433e+03 2.954913433e+03 1.10 2.741997532e+03 2.741997532e+03 1.12 2.542874490e+03 2.542874490e+03 1.14 2.356492110e+03 2.356492110e+03 1.16 2.178382805e+03 2.178382805e+03 1.18 2.007885816e+03 2.007885816e+03 1.20 1.847063314e+03 1.847063314e+03 1.22 1.696424322e+03 1.696424322e+03 1.24 1.553923455e+03 1.553923455e+03 1.26 1.417629352e+03 1.417629352e+03 1.28 1.289400805e+03 1.289400805e+03 1.30 1.170164895e+03 1.170164895e+03 1.32 1.058511442e+03 1.058511442e+03 1.34 9.534180775e+02 9.534180775e+02 1.36 8.538149055e+02 8.538149055e+02 1.38 7.599418877e+02 7.599418877e+02 1.40 6.722708197e+02 6.722708197e+02 1.42 5.901535738e+02 5.901535738e+02 1.44 5.128794489e+02 5.128794489e+02 1.46 4.403452338e+02 4.403452338e+02 1.48 3.719810056e+02 3.719810056e+02 1.50 3.064613499e+02 3.064613499e+02 1.52 2.438421219e+02 2.438421219e+02 1.54 1.852177708e+02 1.852177708e+02 1.56 1.306863245e+02 1.306863245e+02 1.58 7.966685778e+01 7.966685778e+01 1.60 4.202683615e+01 4.202683615e+01 1.62 3.211466538e+01 3.211466538e+01 1.64 2.871989248e+01 2.871989248e+01 1.66 2.640810699e+01 2.640810699e+01 1.68 2.431920218e+01 2.431920218e+01 1.70 2.235809924e+01 2.235809924e+01 1.72 2.051160519e+01 2.051160519e+01 1.74 1.878499160e+01 1.878499160e+01 1.76 1.718010661e+01 1.718010661e+01 1.78 1.569568741e+01 1.569568741e+01 1.80 1.431807838e+01 1.431807838e+01 1.82 1.303383308e+01 1.303383308e+01 1.84 1.183998151e+01 1.183998151e+01 1.86 1.072806108e+01 1.072806108e+01 1.88 9.689035526e+00 9.689035526e+00 1.90 8.708700599e+00 8.708700599e+00 1.92 7.785777324e+00 7.785777324e+00 1.94 6.919332395e+00 6.919332395e+00 1.96 6.108054565e+00 6.108054565e+00 1.98 5.347127563e+00 5.347127563e+00 2.00 4.633815755e+00 4.633815755e+00 2.02 3.965455177e+00 3.965455177e+00 2.04 3.337795745e+00 3.337795745e+00 2.06 2.750521394e+00 2.750521394e+00 2.08 2.200505457e+00 2.200505457e+00 2.10 1.694221220e+00 1.694221220e+00 2.12 1.229554487e+00 1.229554487e+00 2.14 8.025749118e-01 8.025749118e-01 2.16 4.079990458e-01 4.079990458e-01 2.18 4.420052235e-02 4.420052235e-02 2.20 -2.903378645e-01 -2.903378645e-01 2.22 -5.964311827e-01 -5.964311827e-01 2.24 -8.754751006e-01 -8.754751006e-01 2.26 -1.129116880e+00 -1.129116880e+00 2.28 -1.359089029e+00 -1.359089029e+00 2.30 -1.567477039e+00 -1.567477039e+00 2.32 -1.756952684e+00 -1.756952684e+00 2.34 -1.926407674e+00 -1.926407674e+00 2.36 -2.076238860e+00 -2.076238860e+00 2.38 -2.208343081e+00 -2.208343081e+00 2.40 -2.324638050e+00 -2.324638050e+00 2.42 -2.426852537e+00 -2.426852537e+00 2.44 -2.516494740e+00 -2.516494740e+00 2.46 -2.594436663e+00 -2.594436663e+00 2.48 -2.661736466e+00 -2.661736466e+00 2.50 -2.718340954e+00 -2.718340954e+00 2.52 -2.764790951e+00 -2.764790951e+00 2.54 -2.801952196e+00 -2.801952196e+00 2.56 -2.830537526e+00 -2.830537526e+00 2.58 -2.851023142e+00 -2.851023142e+00 2.60 -2.863723659e+00 -2.863723659e+00 2.62 -2.868919998e+00 -2.868919998e+00 2.64 -2.867401847e+00 -2.867401847e+00 2.66 -2.860112122e+00 -2.860112122e+00 2.68 -2.847837531e+00 -2.847837531e+00 2.70 -2.828138046e+00 -2.828138046e+00 2.72 -2.802098453e+00 -2.802098453e+00 2.74 -2.770493791e+00 -2.770493791e+00 2.76 -2.734286890e+00 -2.734286890e+00 2.78 -2.694487885e+00 -2.694487885e+00 2.80 -2.651893094e+00 -2.651893094e+00 2.82 -2.606172777e+00 -2.606172777e+00 2.84 -2.557446951e+00 -2.557446951e+00 2.86 -2.506125677e+00 -2.506125677e+00 2.88 -2.452632640e+00 -2.452632640e+00 2.90 -2.397400650e+00 -2.397400650e+00 2.92 -2.340862179e+00 -2.340862179e+00 2.94 -2.283435887e+00 -2.283435887e+00 2.96 -2.225511972e+00 -2.225511972e+00 2.98 -2.167439800e+00 -2.167439800e+00 3.00 -2.109519971e+00 -2.109519971e+00 3.02 -2.052000880e+00 -2.052000880e+00 3.04 -1.995078665e+00 -1.995078665e+00 3.06 -1.938899891e+00 -1.938899891e+00 3.08 -1.883567563e+00 -1.883567563e+00 3.10 -1.829108073e+00 -1.829108073e+00 3.12 -1.775153406e+00 -1.775153406e+00 3.14 -1.721762723e+00 -1.721762723e+00 3.16 -1.669122846e+00 -1.669122846e+00 3.18 -1.617586595e+00 -1.617586595e+00 3.20 -1.567640556e+00 -1.567640556e+00 3.22 -1.519888027e+00 -1.519888027e+00 3.24 -1.475058237e+00 -1.475058237e+00 3.26 -1.434007777e+00 -1.434007777e+00 3.28 -1.397084222e+00 -1.397084222e+00 3.30 -1.360078703e+00 -1.360078703e+00 3.32 -1.323868919e+00 -1.323868919e+00 3.34 -1.288478565e+00 -1.288478565e+00 3.36 -1.253938564e+00 -1.253938564e+00 3.38 -1.220277529e+00 -1.220277529e+00 3.40 -1.187520398e+00 -1.187520398e+00 3.42 -1.155686369e+00 -1.155686369e+00 3.44 -1.124786600e+00 -1.124786600e+00 3.46 -1.094822390e+00 -1.094822390e+00 3.48 -1.065784480e+00 -1.065784480e+00 3.50 -1.037653757e+00 -1.037653757e+00 3.52 -1.010403126e+00 -1.010403126e+00 3.54 -9.839999697e-01 -9.839999697e-01 3.56 -9.584085644e-01 -9.584085644e-01 3.58 -9.335919897e-01 -9.335919897e-01 3.60 -9.095133964e-01 -9.095133964e-01 3.62 -8.861366942e-01 -8.861366942e-01 3.64 -8.634268432e-01 -8.634268432e-01 3.66 -8.413499376e-01 -8.413499376e-01 3.68 -8.198732236e-01 -8.198732236e-01 3.70 -7.989649217e-01 -7.989649217e-01 3.72 -7.785936675e-01 -7.785936675e-01 3.74 -7.587286311e-01 -7.587286311e-01 3.76 -7.393399484e-01 -7.393399484e-01 3.78 -7.203991285e-01 -7.203991285e-01 3.80 -7.018794232e-01 -7.018794232e-01 3.82 -6.837561458e-01 -6.837561458e-01 3.84 -6.660069316e-01 -6.660069316e-01 3.86 -6.486119261e-01 -6.486119261e-01 3.88 -6.315538910e-01 -6.315538910e-01 3.90 -6.148182475e-01 -6.148182475e-01 3.92 -5.983930399e-01 -5.983930399e-01 3.94 -5.822687980e-01 -5.822687980e-01 3.96 -5.664383572e-01 -5.664383572e-01 3.98 -5.508966154e-01 -5.508966154e-01 4.00 -5.356401981e-01 -5.356401981e-01 4.02 -5.206670496e-01 -5.206670496e-01 4.04 -5.058549626e-01 -5.058549626e-01 4.06 -4.908194007e-01 -4.908194007e-01 4.08 -4.756166186e-01 -4.756166186e-01 4.10 -4.603583871e-01 -4.603583871e-01 4.12 -4.451672639e-01 -4.451672639e-01 4.14 -4.301684880e-01 -4.301684880e-01 4.16 -4.154823877e-01 -4.154823877e-01 4.18 -4.012175560e-01 -4.012175560e-01 4.20 -3.874650993e-01 -3.874650993e-01 4.22 -3.742465734e-01 -3.742465734e-01 4.24 -3.615626454e-01 -3.615626454e-01 4.26 -3.494401119e-01 -3.494401119e-01 4.28 -3.378806612e-01 -3.378806612e-01 4.30 -3.267848846e-01 -3.267848846e-01 4.32 -3.158725233e-01 -3.158725233e-01 4.34 -3.051233072e-01 -3.051233072e-01 4.36 -2.945387020e-01 -2.945387020e-01 4.38 -2.840994814e-01 -2.840994814e-01 4.40 -2.735393514e-01 -2.735393514e-01 4.42 -2.628068128e-01 -2.628068128e-01 4.44 -2.519551143e-01 -2.519551143e-01 4.46 -2.410522586e-01 -2.410522586e-01 4.48 -2.301776868e-01 -2.301776868e-01 4.50 -2.194193518e-01 -2.194193518e-01 4.52 -2.088718221e-01 -2.088718221e-01 4.54 -1.986364634e-01 -1.986364634e-01 4.56 -1.888250158e-01 -1.888250158e-01 4.58 -1.795681001e-01 -1.795681001e-01 4.60 -1.710305409e-01 -1.710305409e-01 4.62 -1.634353167e-01 -1.634353167e-01 4.64 -1.566996441e-01 -1.566996441e-01 4.66 -1.497373416e-01 -1.497373416e-01 4.68 -1.428317563e-01 -1.428317563e-01 4.70 -1.359914423e-01 -1.359914423e-01 4.72 -1.292346168e-01 -1.292346168e-01 4.74 -1.225809658e-01 -1.225809658e-01 4.76 -1.160510026e-01 -1.160510026e-01 4.78 -1.096652587e-01 -1.096652587e-01 4.80 -1.034435013e-01 -1.034435013e-01 4.82 -9.740416328e-02 -9.740416328e-02 4.84 -9.156359290e-02 -9.156359290e-02 4.86 -8.593535361e-02 -8.593535361e-02 4.88 -8.052988864e-02 -8.052988864e-02 4.90 -7.535456606e-02 -7.535456606e-02 4.92 -7.041228842e-02 -7.041228842e-02 4.94 -6.570196489e-02 -6.570196489e-02 4.96 -6.121462024e-02 -6.121462024e-02 4.98 -5.691812974e-02 -5.691812974e-02 5.00 -5.280253712e-02 -5.280253712e-02 5.02 -4.886159920e-02 -4.886159920e-02 5.04 -4.508733973e-02 -4.508733973e-02 5.06 -4.148156277e-02 -4.148156277e-02 5.08 -3.809740863e-02 -3.809740863e-02 5.10 -3.492899218e-02 -3.492899218e-02 5.12 -3.195746954e-02 -3.195746954e-02 5.14 -2.916858928e-02 -2.916858928e-02 5.16 -2.655183657e-02 -2.655183657e-02 5.18 -2.410187853e-02 -2.410187853e-02 5.20 -2.182248412e-02 -2.182248412e-02 5.22 -1.972075070e-02 -1.972075070e-02 5.24 -1.780841367e-02 -1.780841367e-02 5.26 -1.610156417e-02 -1.610156417e-02 5.28 -1.461623740e-02 -1.461623740e-02 5.30 -1.336067236e-02 -1.336067236e-02 5.32 -1.232329914e-02 -1.232329914e-02 5.34 -1.145537018e-02 -1.145537018e-02 5.36 -1.062318467e-02 -1.062318467e-02 5.38 -9.798783445e-03 -9.798783445e-03 5.40 -9.020722163e-03 -9.020722163e-03 5.42 -8.287626874e-03 -8.287626874e-03 5.44 -7.597840104e-03 -7.597840104e-03 5.46 -6.949638328e-03 -6.949638328e-03 5.48 -6.341245112e-03 -6.341245112e-03 5.50 -5.770850023e-03 -5.770850023e-03 5.52 -5.236633233e-03 -5.236633233e-03 5.54 -4.736794827e-03 -4.736794827e-03 5.56 -4.269586892e-03 -4.269586892e-03 5.58 -3.833345604e-03 -3.833345604e-03 5.60 -3.426519985e-03 -3.426519985e-03 5.62 -3.047694057e-03 -3.047694057e-03 5.64 -2.695599637e-03 -2.695599637e-03 5.66 -2.369118369e-03 -2.369118369e-03 5.68 -2.067272974e-03 -2.067272974e-03 5.70 -1.789209189e-03 -1.789209189e-03 5.72 -1.534171134e-03 -1.534171134e-03 5.74 -1.301473325e-03 -1.301473325e-03 5.76 -1.090472567e-03 -1.090472567e-03 5.78 -9.005424564e-04 -9.005424564e-04 5.80 -7.310523529e-04 -7.310523529e-04 5.82 -5.813517610e-04 -5.813517610e-04 5.84 -4.507602389e-04 -4.507602389e-04 5.86 -3.385623256e-04 -3.385623256e-04 5.88 -2.440066373e-04 -2.440066373e-04 5.90 -1.663080843e-04 -1.663080843e-04 5.92 -1.046522123e-04 -1.046522123e-04 5.94 -5.820080318e-05 -5.820080318e-05 5.96 -2.609801348e-05 -2.609801348e-05 5.98 -7.476692099e-06 -7.476692099e-06 6.00 -1.463525000e-06 -1.463525000e-06