# 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 = AlMo2Ni # 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 1.810567467e+02 1.810567467e+02 1.30 1.673224429e+02 1.673224429e+02 1.32 1.546329500e+02 1.546329500e+02 1.34 1.428955374e+02 1.428955374e+02 1.36 1.320257745e+02 1.320257745e+02 1.38 1.219488028e+02 1.219488028e+02 1.40 1.125989610e+02 1.125989610e+02 1.42 1.039182023e+02 1.039182023e+02 1.44 9.585424270e+01 9.585424270e+01 1.46 8.835926912e+01 8.835926912e+01 1.48 8.138966470e+01 8.138966470e+01 1.50 7.490642624e+01 7.490642624e+01 1.52 6.887542515e+01 6.887542515e+01 1.54 6.326696731e+01 6.326696731e+01 1.56 5.805475406e+01 5.805475406e+01 1.58 5.321468549e+01 5.321468549e+01 1.60 4.872389958e+01 4.872389958e+01 1.62 4.456019677e+01 4.456019677e+01 1.64 4.070177174e+01 4.070177174e+01 1.66 3.712713719e+01 3.712713719e+01 1.68 3.381522967e+01 3.381522967e+01 1.70 3.074570011e+01 3.074570011e+01 1.72 2.790173661e+01 2.790173661e+01 1.74 2.526869362e+01 2.526869362e+01 1.76 2.282959052e+01 2.282959052e+01 1.78 2.056930256e+01 2.056930256e+01 1.80 1.847593338e+01 1.847593338e+01 1.82 1.653716705e+01 1.653716705e+01 1.84 1.474185733e+01 1.474185733e+01 1.86 1.308024932e+01 1.308024932e+01 1.88 1.154373270e+01 1.154373270e+01 1.90 1.012451027e+01 1.012451027e+01 1.92 8.815267981e+00 8.815267981e+00 1.94 7.608931672e+00 7.608931672e+00 1.96 6.498559348e+00 6.498559348e+00 1.98 5.477357521e+00 5.477357521e+00 2.00 4.538760772e+00 4.538760772e+00 2.02 3.676505298e+00 3.676505298e+00 2.04 2.884655068e+00 2.884655068e+00 2.06 2.157578483e+00 2.157578483e+00 2.08 1.489904605e+00 1.489904605e+00 2.10 8.764993041e-01 8.764993041e-01 2.12 3.124881058e-01 3.124881058e-01 2.14 -2.066757185e-01 -2.066757185e-01 2.16 -6.851241175e-01 -6.851241175e-01 2.18 -1.126503215e+00 -1.126503215e+00 2.20 -1.533944760e+00 -1.533944760e+00 2.22 -1.910089001e+00 -1.910089001e+00 2.24 -2.257150651e+00 -2.257150651e+00 2.26 -2.577009459e+00 -2.577009459e+00 2.28 -2.871305342e+00 -2.871305342e+00 2.30 -3.141521816e+00 -3.141521816e+00 2.32 -3.389046902e+00 -3.389046902e+00 2.34 -3.615205350e+00 -3.615205350e+00 2.36 -3.821262646e+00 -3.821262646e+00 2.38 -4.008409208e+00 -4.008409208e+00 2.40 -4.177739914e+00 -4.177739914e+00 2.42 -4.330243611e+00 -4.330243611e+00 2.44 -4.466809229e+00 -4.466809229e+00 2.46 -4.588162725e+00 -4.588162725e+00 2.48 -4.694867320e+00 -4.694867320e+00 2.50 -4.787867675e+00 -4.787867675e+00 2.52 -4.868084470e+00 -4.868084470e+00 2.54 -4.936394945e+00 -4.936394945e+00 2.56 -4.993646994e+00 -4.993646994e+00 2.58 -5.040666685e+00 -5.040666685e+00 2.60 -5.078256936e+00 -5.078256936e+00 2.62 -5.107162175e+00 -5.107162175e+00 2.64 -5.127754721e+00 -5.127754721e+00 2.66 -5.140173383e+00 -5.140173383e+00 2.68 -5.144572739e+00 -5.144572739e+00 2.70 -5.141115116e+00 -5.141115116e+00 2.72 -5.129968749e+00 -5.129968749e+00 2.74 -5.111311652e+00 -5.111311652e+00 2.76 -5.085336184e+00 -5.085336184e+00 2.78 -5.052252851e+00 -5.052252851e+00 2.80 -5.012293236e+00 -5.012293236e+00 2.82 -4.965713735e+00 -4.965713735e+00 2.84 -4.913135420e+00 -4.913135420e+00 2.86 -4.855247263e+00 -4.855247263e+00 2.88 -4.792080576e+00 -4.792080576e+00 2.90 -4.723769988e+00 -4.723769988e+00 2.92 -4.650571275e+00 -4.650571275e+00 2.94 -4.572853231e+00 -4.572853231e+00 2.96 -4.491083156e+00 -4.491083156e+00 2.98 -4.405805316e+00 -4.405805316e+00 3.00 -4.317616024e+00 -4.317616024e+00 3.02 -4.227144729e+00 -4.227144729e+00 3.04 -4.135007469e+00 -4.135007469e+00 3.06 -4.041767064e+00 -4.041767064e+00 3.08 -3.947905255e+00 -3.947905255e+00 3.10 -3.853802118e+00 -3.853802118e+00 3.12 -3.759724623e+00 -3.759724623e+00 3.14 -3.665825173e+00 -3.665825173e+00 3.16 -3.572149490e+00 -3.572149490e+00 3.18 -3.478652456e+00 -3.478652456e+00 3.20 -3.385219446e+00 -3.385219446e+00 3.22 -3.291690709e+00 -3.291690709e+00 3.24 -3.197886609e+00 -3.197886609e+00 3.26 -3.103632099e+00 -3.103632099e+00 3.28 -3.008779359e+00 -3.008779359e+00 3.30 -2.913227950e+00 -2.913227950e+00 3.32 -2.816941927e+00 -2.816941927e+00 3.34 -2.719963328e+00 -2.719963328e+00 3.36 -2.622421241e+00 -2.622421241e+00 3.38 -2.524535603e+00 -2.524535603e+00 3.40 -2.426614889e+00 -2.426614889e+00 3.42 -2.329047220e+00 -2.329047220e+00 3.44 -2.232284945e+00 -2.232284945e+00 3.46 -2.136823572e+00 -2.136823572e+00 3.48 -2.043176637e+00 -2.043176637e+00 3.50 -1.951848796e+00 -1.951848796e+00 3.52 -1.863309698e+00 -1.863309698e+00 3.54 -1.777971115e+00 -1.777971115e+00 3.56 -1.696169330e+00 -1.696169330e+00 3.58 -1.618154006e+00 -1.618154006e+00 3.60 -1.544083860e+00 -1.544083860e+00 3.62 -1.474028680e+00 -1.474028680e+00 3.64 -1.407976589e+00 -1.407976589e+00 3.66 -1.345845095e+00 -1.345845095e+00 3.68 -1.287494421e+00 -1.287494421e+00 3.70 -1.232741677e+00 -1.232741677e+00 3.72 -1.181374742e+00 -1.181374742e+00 3.74 -1.133164996e+00 -1.133164996e+00 3.76 -1.087878334e+00 -1.087878334e+00 3.78 -1.045284165e+00 -1.045284165e+00 3.80 -1.005162247e+00 -1.005162247e+00 3.82 -9.673073635e-01 -9.673073635e-01 3.84 -9.315319450e-01 -9.315319450e-01 3.86 -8.976668124e-01 -8.976668124e-01 3.88 -8.655603472e-01 -8.655603472e-01 3.90 -8.350764674e-01 -8.350764674e-01 3.92 -8.060918731e-01 -8.060918731e-01 3.94 -7.784930790e-01 -7.784930790e-01 3.96 -7.521736338e-01 -7.521736338e-01 3.98 -7.270319415e-01 -7.270319415e-01 4.00 -7.029698166e-01 -7.029698166e-01 4.02 -6.798918183e-01 -6.798918183e-01 4.04 -6.577052723e-01 -6.577052723e-01 4.06 -6.363207781e-01 -6.363207781e-01 4.08 -6.156530271e-01 -6.156530271e-01 4.10 -5.956217678e-01 -5.956217678e-01 4.12 -5.761528862e-01 -5.761528862e-01 4.14 -5.571792585e-01 -5.571792585e-01 4.16 -5.386414837e-01 -5.386414837e-01 4.18 -5.204894707e-01 -5.204894707e-01 4.20 -5.026824973e-01 -5.026824973e-01 4.22 -4.851896105e-01 -4.851896105e-01 4.24 -4.679899135e-01 -4.679899135e-01 4.26 -4.510725072e-01 -4.510725072e-01 4.28 -4.344360439e-01 -4.344360439e-01 4.30 -4.180878755e-01 -4.180878755e-01 4.32 -4.020428226e-01 -4.020428226e-01 4.34 -3.863216359e-01 -3.863216359e-01 4.36 -3.709492634e-01 -3.709492634e-01 4.38 -3.559530519e-01 -3.559530519e-01 4.40 -3.413610026e-01 -3.413610026e-01 4.42 -3.272001656e-01 -3.272001656e-01 4.44 -3.134952120e-01 -3.134952120e-01 4.46 -3.002671858e-01 -3.002671858e-01 4.48 -2.875324160e-01 -2.875324160e-01 4.50 -2.753015799e-01 -2.753015799e-01 4.52 -2.635789317e-01 -2.635789317e-01 4.54 -2.523617394e-01 -2.523617394e-01 4.56 -2.416399921e-01 -2.416399921e-01 4.58 -2.313964384e-01 -2.313964384e-01 4.60 -2.216069875e-01 -2.216069875e-01 4.62 -2.122413600e-01 -2.122413600e-01 4.64 -2.032642307e-01 -2.032642307e-01 4.66 -1.946368829e-01 -1.946368829e-01 4.68 -1.863182160e-01 -1.863182160e-01 4.70 -1.782662569e-01 -1.782662569e-01 4.72 -1.704396456e-01 -1.704396456e-01 4.74 -1.627990271e-01 -1.627990271e-01 4.76 -1.553083199e-01 -1.553083199e-01 4.78 -1.479358463e-01 -1.479358463e-01 4.80 -1.406553101e-01 -1.406553101e-01 4.82 -1.334466434e-01 -1.334466434e-01 4.84 -1.262966148e-01 -1.262966148e-01 4.86 -1.191992912e-01 -1.191992912e-01 4.88 -1.121562199e-01 -1.121562199e-01 4.90 -1.051763276e-01 -1.051763276e-01 4.92 -9.827549225e-02 -9.827549225e-02 4.94 -9.147576757e-02 -9.147576757e-02 4.96 -8.480426390e-02 -8.480426390e-02 4.98 -7.829172614e-02 -7.829172614e-02 5.00 -7.197088440e-02 -7.197088440e-02 5.02 -6.587468566e-02 -6.587468566e-02 5.04 -6.003453615e-02 -6.003453615e-02 5.06 -5.447868870e-02 -5.447868870e-02 5.08 -4.923089461e-02 -4.923089461e-02 5.10 -4.430941368e-02 -4.430941368e-02 5.12 -3.972643705e-02 -3.972643705e-02 5.14 -3.548790654e-02 -3.548790654e-02 5.16 -3.159371967e-02 -3.159371967e-02 5.18 -2.803823358e-02 -2.803823358e-02 5.20 -2.481100699e-02 -2.481100699e-02 5.22 -2.189768449e-02 -2.189768449e-02 5.24 -1.928091946e-02 -1.928091946e-02 5.26 -1.694125560e-02 -1.694125560e-02 5.28 -1.485759883e-02 -1.485759883e-02 5.30 -1.300888614e-02 -1.300888614e-02 5.32 -1.137423889e-02 -1.137423889e-02 5.34 -9.933211602e-03 -9.933211602e-03 5.36 -8.666195918e-03 -8.666195918e-03 5.38 -7.554701370e-03 -7.554701370e-03 5.40 -6.581532400e-03 -6.581532400e-03 5.42 -5.730881516e-03 -5.730881516e-03 5.44 -4.988357356e-03 -4.988357356e-03 5.46 -4.340964319e-03 -4.340964319e-03 5.48 -3.777047859e-03 -3.777047859e-03 5.50 -3.286216989e-03 -3.286216989e-03 5.52 -2.859253052e-03 -2.859253052e-03 5.54 -2.488011728e-03 -2.488011728e-03 5.56 -2.165323355e-03 -2.165323355e-03 5.58 -1.884895216e-03 -1.884895216e-03 5.60 -1.641218236e-03 -1.641218236e-03 5.62 -1.429479605e-03 -1.429479605e-03 5.64 -1.245482221e-03 -1.245482221e-03 5.66 -1.085571267e-03 -1.085571267e-03 5.68 -9.465679648e-04 -9.465679648e-04 5.70 -8.257102490e-04 -8.257102490e-04 5.72 -7.205999882e-04 -7.205999882e-04 5.74 -6.291562766e-04 -6.291562766e-04 5.76 -5.495742770e-04 -5.495742770e-04 5.78 -4.802890899e-04 -4.802890899e-04 5.80 -4.199441295e-04 -4.199441295e-04 5.82 -3.673635140e-04 -3.673635140e-04 5.84 -3.215280120e-04 -3.215280120e-04 5.86 -2.815541211e-04 -2.815541211e-04 5.88 -2.466758986e-04 -2.466758986e-04 5.90 -2.162291983e-04 -2.162291983e-04 5.92 -1.896380095e-04 -1.896380095e-04 5.94 -1.664026245e-04 -1.664026245e-04 5.96 -1.460893965e-04 -1.460893965e-04 5.98 -1.283218784e-04 -1.283218784e-04 6.00 -1.127731568e-04 -1.127731568e-04