# 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 = MoNi2Pd # 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 2.011785974e+02 2.011785974e+02 1.30 1.854133291e+02 1.854133291e+02 1.32 1.708480985e+02 1.708480985e+02 1.34 1.573943975e+02 1.573943975e+02 1.36 1.449698119e+02 1.449698119e+02 1.38 1.334945168e+02 1.334945168e+02 1.40 1.228905523e+02 1.228905523e+02 1.42 1.130837087e+02 1.130837087e+02 1.44 1.040060145e+02 1.040060145e+02 1.46 9.559702332e+01 9.559702332e+01 1.48 8.780353916e+01 8.780353916e+01 1.50 8.057844971e+01 8.057844971e+01 1.52 7.387938385e+01 7.387938385e+01 1.54 6.766755098e+01 6.766755098e+01 1.56 6.190687639e+01 6.190687639e+01 1.58 5.656349949e+01 5.656349949e+01 1.60 5.160570927e+01 5.160570927e+01 1.62 4.700426660e+01 4.700426660e+01 1.64 4.273279295e+01 4.273279295e+01 1.66 3.876785434e+01 3.876785434e+01 1.68 3.509039277e+01 3.509039277e+01 1.70 3.168950799e+01 3.168950799e+01 1.72 2.855937857e+01 2.855937857e+01 1.74 2.568065137e+01 2.568065137e+01 1.76 2.303413616e+01 2.303413616e+01 1.78 2.060131162e+01 2.060131162e+01 1.80 1.836462979e+01 1.836462979e+01 1.82 1.630776312e+01 1.630776312e+01 1.84 1.441574754e+01 1.441574754e+01 1.86 1.267503889e+01 1.267503889e+01 1.88 1.107349297e+01 1.107349297e+01 1.90 9.600274014e+00 9.600274014e+00 1.92 8.245710729e+00 8.245710729e+00 1.94 7.001129872e+00 7.001129872e+00 1.96 5.858691705e+00 5.858691705e+00 1.98 4.811237315e+00 4.811237315e+00 2.00 3.852148165e+00 3.852148165e+00 2.02 2.975219104e+00 2.975219104e+00 2.04 2.174553134e+00 2.174553134e+00 2.06 1.444490364e+00 1.444490364e+00 2.08 7.795800925e-01 7.795800925e-01 2.10 1.745960240e-01 1.745960240e-01 2.12 -3.754156197e-01 -3.754156197e-01 2.14 -8.750737968e-01 -8.750737968e-01 2.16 -1.328608465e+00 -1.328608465e+00 2.18 -1.739832970e+00 -1.739832970e+00 2.20 -2.112150903e+00 -2.112150903e+00 2.22 -2.448592944e+00 -2.448592944e+00 2.24 -2.751871297e+00 -2.751871297e+00 2.26 -3.024439468e+00 -3.024439468e+00 2.28 -3.268551047e+00 -3.268551047e+00 2.30 -3.486315894e+00 -3.486315894e+00 2.32 -3.679749820e+00 -3.679749820e+00 2.34 -3.850768283e+00 -3.850768283e+00 2.36 -4.001128616e+00 -4.001128616e+00 2.38 -4.132825505e+00 -4.132825505e+00 2.40 -4.247717627e+00 -4.247717627e+00 2.42 -4.347447509e+00 -4.347447509e+00 2.44 -4.433439502e+00 -4.433439502e+00 2.46 -4.506922402e+00 -4.506922402e+00 2.48 -4.568960223e+00 -4.568960223e+00 2.50 -4.620355149e+00 -4.620355149e+00 2.52 -4.661696067e+00 -4.661696067e+00 2.54 -4.693542603e+00 -4.693542603e+00 2.56 -4.716418167e+00 -4.716418167e+00 2.58 -4.730801147e+00 -4.730801147e+00 2.60 -4.737130406e+00 -4.737130406e+00 2.62 -4.735927801e+00 -4.735927801e+00 2.64 -4.727889502e+00 -4.727889502e+00 2.66 -4.713230897e+00 -4.713230897e+00 2.68 -4.692170407e+00 -4.692170407e+00 2.70 -4.664954517e+00 -4.664954517e+00 2.72 -4.631684422e+00 -4.631684422e+00 2.74 -4.592429800e+00 -4.592429800e+00 2.76 -4.547342413e+00 -4.547342413e+00 2.78 -4.496680714e+00 -4.496680714e+00 2.80 -4.440786332e+00 -4.440786332e+00 2.82 -4.380014500e+00 -4.380014500e+00 2.84 -4.314725103e+00 -4.314725103e+00 2.86 -4.245284228e+00 -4.245284228e+00 2.88 -4.172070881e+00 -4.172070881e+00 2.90 -4.095484542e+00 -4.095484542e+00 2.92 -4.015949233e+00 -4.015949233e+00 2.94 -3.933911185e+00 -3.933911185e+00 2.96 -3.849829425e+00 -3.849829425e+00 2.98 -3.764160765e+00 -3.764160765e+00 3.00 -3.677342125e+00 -3.677342125e+00 3.02 -3.589773487e+00 -3.589773487e+00 3.04 -3.501804201e+00 -3.501804201e+00 3.06 -3.413724212e+00 -3.413724212e+00 3.08 -3.325760643e+00 -3.325760643e+00 3.10 -3.238079278e+00 -3.238079278e+00 3.12 -3.150789959e+00 -3.150789959e+00 3.14 -3.063954740e+00 -3.063954740e+00 3.16 -2.977597661e+00 -2.977597661e+00 3.18 -2.891715193e+00 -2.891715193e+00 3.20 -2.806286671e+00 -2.806286671e+00 3.22 -2.721284270e+00 -2.721284270e+00 3.24 -2.636682284e+00 -2.636682284e+00 3.26 -2.552465594e+00 -2.552465594e+00 3.28 -2.468637227e+00 -2.468637227e+00 3.30 -2.385224853e+00 -2.385224853e+00 3.32 -2.302285979e+00 -2.302285979e+00 3.34 -2.219911506e+00 -2.219911506e+00 3.36 -2.138227255e+00 -2.138227255e+00 3.38 -2.057393072e+00 -2.057393072e+00 3.40 -1.977599284e+00 -1.977599284e+00 3.42 -1.899060446e+00 -1.899060446e+00 3.44 -1.822006677e+00 -1.822006677e+00 3.46 -1.746673142e+00 -1.746673142e+00 3.48 -1.673288589e+00 -1.673288589e+00 3.50 -1.602063945e+00 -1.602063945e+00 3.52 -1.533182059e+00 -1.533182059e+00 3.54 -1.466789485e+00 -1.466789485e+00 3.56 -1.402990951e+00 -1.402990951e+00 3.58 -1.341846787e+00 -1.341846787e+00 3.60 -1.283373270e+00 -1.283373270e+00 3.62 -1.227545505e+00 -1.227545505e+00 3.64 -1.174302341e+00 -1.174302341e+00 3.66 -1.123552686e+00 -1.123552686e+00 3.68 -1.075182620e+00 -1.075182620e+00 3.70 -1.029062793e+00 -1.029062793e+00 3.72 -9.850556596e-01 -9.850556596e-01 3.74 -9.430222276e-01 -9.430222276e-01 3.76 -9.028280279e-01 -9.028280279e-01 3.78 -8.643480799e-01 -8.643480799e-01 3.80 -8.274706218e-01 -8.274706218e-01 3.82 -7.920994071e-01 -7.920994071e-01 3.84 -7.581544206e-01 -7.581544206e-01 3.86 -7.255709843e-01 -7.255709843e-01 3.88 -6.942973963e-01 -6.942973963e-01 3.90 -6.642914577e-01 -6.642914577e-01 3.92 -6.355164284e-01 -6.355164284e-01 3.94 -6.079370592e-01 -6.079370592e-01 3.96 -5.815163132e-01 -5.815163132e-01 3.98 -5.562132253e-01 -5.562132253e-01 4.00 -5.319820824e-01 -5.319820824e-01 4.02 -5.087728254e-01 -5.087728254e-01 4.04 -4.865323464e-01 -4.865323464e-01 4.06 -4.652062328e-01 -4.652062328e-01 4.08 -4.447405029e-01 -4.447405029e-01 4.10 -4.250829712e-01 -4.250829712e-01 4.12 -4.061840308e-01 -4.061840308e-01 4.14 -3.879968014e-01 -3.879968014e-01 4.16 -3.704767540e-01 -3.704767540e-01 4.18 -3.535810154e-01 -3.535810154e-01 4.20 -3.372676146e-01 -3.372676146e-01 4.22 -3.214949240e-01 -3.214949240e-01 4.24 -3.062214881e-01 -3.062214881e-01 4.26 -2.914063517e-01 -2.914063517e-01 4.28 -2.770098976e-01 -2.770098976e-01 4.30 -2.629951206e-01 -2.629951206e-01 4.32 -2.493291939e-01 -2.493291939e-01 4.34 -2.359851388e-01 -2.359851388e-01 4.36 -2.229433883e-01 -2.229433883e-01 4.38 -2.101930297e-01 -2.101930297e-01 4.40 -1.977325277e-01 -1.977325277e-01 4.42 -1.855697718e-01 -1.855697718e-01 4.44 -1.737213485e-01 -1.737213485e-01 4.46 -1.622110328e-01 -1.622110328e-01 4.48 -1.510675926e-01 -1.510675926e-01 4.50 -1.403221110e-01 -1.403221110e-01 4.52 -1.300051160e-01 -1.300051160e-01 4.54 -1.201438506e-01 -1.201438506e-01 4.56 -1.107600057e-01 -1.107600057e-01 4.58 -1.018681645e-01 -1.018681645e-01 4.60 -9.347508752e-02 -9.347508752e-02 4.62 -8.557985188e-02 -8.557985188e-02 4.64 -7.817470600e-02 -7.817470600e-02 4.66 -7.124644105e-02 -7.124644105e-02 4.68 -6.477801353e-02 -6.477801353e-02 4.70 -5.875019192e-02 -5.875019192e-02 4.72 -5.314299973e-02 -5.314299973e-02 4.74 -4.793648979e-02 -4.793648979e-02 4.76 -4.311218137e-02 -4.311218137e-02 4.78 -3.865322756e-02 -3.865322756e-02 4.80 -3.454393629e-02 -3.454393629e-02 4.82 -3.076954991e-02 -3.076954991e-02 4.84 -2.731584869e-02 -2.731584869e-02 4.86 -2.416870411e-02 -2.416870411e-02 4.88 -2.131367502e-02 -2.131367502e-02 4.90 -1.873571436e-02 -1.873571436e-02 4.92 -1.641902049e-02 -1.641902049e-02 4.94 -1.434675024e-02 -1.434675024e-02 4.96 -1.250171184e-02 -1.250171184e-02 4.98 -1.086656513e-02 -1.086656513e-02 5.00 -9.423752217e-03 -9.423752217e-03 5.02 -8.155825335e-03 -8.155825335e-03 5.04 -7.045754394e-03 -7.045754394e-03 5.06 -6.077191879e-03 -6.077191879e-03 5.08 -5.234682476e-03 -5.234682476e-03 5.10 -4.503813352e-03 -4.503813352e-03 5.12 -3.871307320e-03 -3.871307320e-03 5.14 -3.325065303e-03 -3.325065303e-03 5.16 -2.854166652e-03 -2.854166652e-03 5.18 -2.448836620e-03 -2.448836620e-03 5.20 -2.100389874e-03 -2.100389874e-03 5.22 -1.801157993e-03 -1.801157993e-03 5.24 -1.544407579e-03 -1.544407579e-03 5.26 -1.324254258e-03 -1.324254258e-03 5.28 -1.135576549e-03 -1.135576549e-03 5.30 -9.739324730e-04 -9.739324730e-04 5.32 -8.354808047e-04 -8.354808047e-04 5.34 -7.169081393e-04 -7.169081393e-04 5.36 -6.153623770e-04 -6.153623770e-04 5.38 -5.283927980e-04 -5.283927980e-04 5.40 -4.538966167e-04 -4.538966167e-04 5.42 -3.900717041e-04 -3.900717041e-04 5.44 -3.353750527e-04 -3.353750527e-04 5.46 -2.884864893e-04 -2.884864893e-04 5.48 -2.482771231e-04 -2.482771231e-04 5.50 -2.137820172e-04 -2.137820172e-04 5.52 -1.841765957e-04 -1.841765957e-04 5.54 -1.587563304e-04 -1.587563304e-04 5.56 -1.369192910e-04 -1.369192910e-04 5.58 -1.181511807e-04 -1.181511807e-04 5.60 -1.020125257e-04 -1.020125257e-04 5.62 -8.812771816e-05 -8.812771816e-05 5.64 -7.617565685e-05 -7.617565685e-05 5.66 -6.588175606e-05 -6.588175606e-05 5.68 -5.701112798e-05 -5.701112798e-05 5.70 -4.936276811e-05 -4.936276811e-05 5.72 -4.276459756e-05 -4.276459756e-05 5.74 -3.706923665e-05 -3.706923665e-05 5.76 -3.215040214e-05 -3.215040214e-05 5.78 -2.789983584e-05 -2.789983584e-05 5.80 -2.422468621e-05 -2.422468621e-05 5.82 -2.104527539e-05 -2.104527539e-05 5.84 -1.829319487e-05 -1.829319487e-05 5.86 -1.590968057e-05 -1.590968057e-05 5.88 -1.384422625e-05 -1.384422625e-05 5.90 -1.205339959e-05 -1.205339959e-05 5.92 -1.049983111e-05 -1.049983111e-05 5.94 -9.151350207e-06 -9.151350207e-06 5.96 -7.980246632e-06 -7.980246632e-06 5.98 -6.962638921e-06 -6.962638921e-06 6.00 -6.077933990e-06 -6.077933990e-06