# 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 = Mg2PtZr # 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 4.422823022e+02 4.422823022e+02 1.30 4.118952228e+02 4.118952228e+02 1.32 3.836407452e+02 3.836407452e+02 1.34 3.573612370e+02 3.573612370e+02 1.36 3.329177750e+02 3.329177750e+02 1.38 3.101798541e+02 3.101798541e+02 1.40 2.890190372e+02 2.890190372e+02 1.42 2.693095933e+02 2.693095933e+02 1.44 2.509326868e+02 2.509326868e+02 1.46 2.337809542e+02 2.337809542e+02 1.48 2.177611132e+02 2.177611132e+02 1.50 2.027932263e+02 2.027932263e+02 1.52 1.888070116e+02 1.888070116e+02 1.54 1.757377623e+02 1.757377623e+02 1.56 1.635234411e+02 1.635234411e+02 1.58 1.521038248e+02 1.521038248e+02 1.60 1.414209410e+02 1.414209410e+02 1.62 1.314200611e+02 1.314200611e+02 1.64 1.220506633e+02 1.220506633e+02 1.66 1.132672592e+02 1.132672592e+02 1.68 1.050298125e+02 1.050298125e+02 1.70 9.730337451e+01 9.730337451e+01 1.72 9.005722079e+01 9.005722079e+01 1.74 8.326356305e+01 8.326356305e+01 1.76 7.689634839e+01 7.689634839e+01 1.78 7.093057555e+01 7.093057555e+01 1.80 6.534564284e+01 6.534564284e+01 1.82 6.016215169e+01 6.016215169e+01 1.84 5.536215202e+01 5.536215202e+01 1.86 5.091622152e+01 5.091622152e+01 1.88 4.679707164e+01 4.679707164e+01 1.90 4.297914041e+01 4.297914041e+01 1.92 3.943859201e+01 3.943859201e+01 1.94 3.615352892e+01 3.615352892e+01 1.96 3.310407474e+01 3.310407474e+01 1.98 3.027238999e+01 3.027238999e+01 2.00 2.764256266e+01 2.764256266e+01 2.02 2.520037267e+01 2.520037267e+01 2.04 2.293298998e+01 2.293298998e+01 2.06 2.082867263e+01 2.082867263e+01 2.08 1.887652838e+01 1.887652838e+01 2.10 1.706631625e+01 1.706631625e+01 2.12 1.538836388e+01 1.538836388e+01 2.14 1.383352076e+01 1.383352076e+01 2.16 1.239317574e+01 1.239317574e+01 2.18 1.105927868e+01 1.105927868e+01 2.20 9.824355308e+00 9.824355308e+00 2.22 8.681481946e+00 8.681481946e+00 2.24 7.624256492e+00 7.624256492e+00 2.26 6.646772615e+00 6.646772615e+00 2.28 5.743605432e+00 5.743605432e+00 2.30 4.909792363e+00 4.909792363e+00 2.32 4.140786823e+00 4.140786823e+00 2.34 3.432433291e+00 3.432433291e+00 2.36 2.780884901e+00 2.780884901e+00 2.38 2.182544163e+00 2.182544163e+00 2.40 1.634002896e+00 1.634002896e+00 2.42 1.131985218e+00 1.131985218e+00 2.44 6.733094965e-01 6.733094965e-01 2.46 2.548532554e-01 2.548532554e-01 2.48 -1.264596676e-01 -1.264596676e-01 2.50 -4.736524006e-01 -4.736524006e-01 2.52 -7.897213533e-01 -7.897213533e-01 2.54 -1.077458188e+00 -1.077458188e+00 2.56 -1.339495800e+00 -1.339495800e+00 2.58 -1.579235389e+00 -1.579235389e+00 2.60 -1.798705780e+00 -1.798705780e+00 2.62 -1.999295620e+00 -1.999295620e+00 2.64 -2.182201220e+00 -2.182201220e+00 2.66 -2.348445407e+00 -2.348445407e+00 2.68 -2.498893450e+00 -2.498893450e+00 2.70 -2.634227227e+00 -2.634227227e+00 2.72 -2.755096448e+00 -2.755096448e+00 2.74 -2.862154586e+00 -2.862154586e+00 2.76 -2.956060229e+00 -2.956060229e+00 2.78 -3.037470330e+00 -3.037470330e+00 2.80 -3.107041403e+00 -3.107041403e+00 2.82 -3.165410567e+00 -3.165410567e+00 2.84 -3.213203168e+00 -3.213203168e+00 2.86 -3.251033056e+00 -3.251033056e+00 2.88 -3.279509713e+00 -3.279509713e+00 2.90 -3.299247878e+00 -3.299247878e+00 2.92 -3.310877012e+00 -3.310877012e+00 2.94 -3.315047387e+00 -3.315047387e+00 2.96 -3.312429770e+00 -3.312429770e+00 2.98 -3.303706795e+00 -3.303706795e+00 3.00 -3.289556349e+00 -3.289556349e+00 3.02 -3.270629964e+00 -3.270629964e+00 3.04 -3.247527747e+00 -3.247527747e+00 3.06 -3.220796017e+00 -3.220796017e+00 3.08 -3.190896364e+00 -3.190896364e+00 3.10 -3.158223044e+00 -3.158223044e+00 3.12 -3.123104576e+00 -3.123104576e+00 3.14 -3.085825939e+00 -3.085825939e+00 3.16 -3.046625487e+00 -3.046625487e+00 3.18 -3.005717353e+00 -3.005717353e+00 3.20 -2.963296643e+00 -2.963296643e+00 3.22 -2.919545397e+00 -2.919545397e+00 3.24 -2.874637009e+00 -2.874637009e+00 3.26 -2.828739642e+00 -2.828739642e+00 3.28 -2.782018517e+00 -2.782018517e+00 3.30 -2.734636431e+00 -2.734636431e+00 3.32 -2.686752030e+00 -2.686752030e+00 3.34 -2.638516057e+00 -2.638516057e+00 3.36 -2.590066672e+00 -2.590066672e+00 3.38 -2.541530149e+00 -2.541530149e+00 3.40 -2.493054117e+00 -2.493054117e+00 3.42 -2.444782616e+00 -2.444782616e+00 3.44 -2.396826246e+00 -2.396826246e+00 3.46 -2.349272765e+00 -2.349272765e+00 3.48 -2.302191166e+00 -2.302191166e+00 3.50 -2.255636219e+00 -2.255636219e+00 3.52 -2.209651854e+00 -2.209651854e+00 3.54 -2.164273422e+00 -2.164273422e+00 3.56 -2.119529063e+00 -2.119529063e+00 3.58 -2.075440458e+00 -2.075440458e+00 3.60 -2.032023255e+00 -2.032023255e+00 3.62 -1.989287358e+00 -1.989287358e+00 3.64 -1.947237263e+00 -1.947237263e+00 3.66 -1.905883296e+00 -1.905883296e+00 3.68 -1.865237224e+00 -1.865237224e+00 3.70 -1.825272260e+00 -1.825272260e+00 3.72 -1.785961783e+00 -1.785961783e+00 3.74 -1.747281880e+00 -1.747281880e+00 3.76 -1.709212630e+00 -1.709212630e+00 3.78 -1.671739457e+00 -1.671739457e+00 3.80 -1.634854275e+00 -1.634854275e+00 3.82 -1.598556144e+00 -1.598556144e+00 3.84 -1.562851112e+00 -1.562851112e+00 3.86 -1.527750423e+00 -1.527750423e+00 3.88 -1.493253549e+00 -1.493253549e+00 3.90 -1.459342833e+00 -1.459342833e+00 3.92 -1.426001457e+00 -1.426001457e+00 3.94 -1.393216149e+00 -1.393216149e+00 3.96 -1.360966126e+00 -1.360966126e+00 3.98 -1.329227601e+00 -1.329227601e+00 4.00 -1.297972415e+00 -1.297972415e+00 4.02 -1.267169659e+00 -1.267169659e+00 4.04 -1.236788331e+00 -1.236788331e+00 4.06 -1.206800533e+00 -1.206800533e+00 4.08 -1.177184694e+00 -1.177184694e+00 4.10 -1.147925270e+00 -1.147925270e+00 4.12 -1.119027873e+00 -1.119027873e+00 4.14 -1.090499728e+00 -1.090499728e+00 4.16 -1.062364000e+00 -1.062364000e+00 4.18 -1.034654602e+00 -1.034654602e+00 4.20 -1.007413700e+00 -1.007413700e+00 4.22 -9.806883321e-01 -9.806883321e-01 4.24 -9.545264754e-01 -9.545264754e-01 4.26 -9.289730322e-01 -9.289730322e-01 4.28 -9.040661796e-01 -9.040661796e-01 4.30 -8.798344807e-01 -8.798344807e-01 4.32 -8.562950140e-01 -8.562950140e-01 4.34 -8.334526069e-01 -8.334526069e-01 4.36 -8.113000965e-01 -8.113000965e-01 4.38 -7.898194158e-01 -7.898194158e-01 4.40 -7.689832340e-01 -7.689832340e-01 4.42 -7.487568762e-01 -7.487568762e-01 4.44 -7.291002827e-01 -7.291002827e-01 4.46 -7.099698306e-01 -7.099698306e-01 4.48 -6.913199170e-01 -6.913199170e-01 4.50 -6.731042610e-01 -6.731042610e-01 4.52 -6.552769383e-01 -6.552769383e-01 4.54 -6.377931907e-01 -6.377931907e-01 4.56 -6.206100756e-01 -6.206100756e-01 4.58 -6.036870218e-01 -6.036870218e-01 4.60 -5.869863572e-01 -5.869863572e-01 4.62 -5.704738602e-01 -5.704738602e-01 4.64 -5.541193720e-01 -5.541193720e-01 4.66 -5.378974853e-01 -5.378974853e-01 4.68 -5.217883004e-01 -5.217883004e-01 4.70 -5.057782162e-01 -5.057782162e-01 4.72 -4.898606952e-01 -4.898606952e-01 4.74 -4.740369194e-01 -4.740369194e-01 4.76 -4.583162389e-01 -4.583162389e-01 4.78 -4.427163079e-01 -4.427163079e-01 4.80 -4.272593654e-01 -4.272593654e-01 4.82 -4.119858665e-01 -4.119858665e-01 4.84 -3.969306985e-01 -3.969306985e-01 4.86 -3.821372495e-01 -3.821372495e-01 4.88 -3.676511910e-01 -3.676511910e-01 4.90 -3.535182087e-01 -3.535182087e-01 4.92 -3.397817121e-01 -3.397817121e-01 4.94 -3.264807206e-01 -3.264807206e-01 4.96 -3.136481033e-01 -3.136481033e-01 4.98 -3.013093041e-01 -3.013093041e-01 5.00 -2.894816191e-01 -2.894816191e-01 5.02 -2.781740311e-01 -2.781740311e-01 5.04 -2.673875427e-01 -2.673875427e-01 5.06 -2.571159110e-01 -2.571159110e-01 5.08 -2.473466619e-01 -2.473466619e-01 5.10 -2.380622621e-01 -2.380622621e-01 5.12 -2.292413357e-01 -2.292413357e-01 5.14 -2.208598382e-01 -2.208598382e-01 5.16 -2.128921234e-01 -2.128921234e-01 5.18 -2.053118672e-01 -2.053118672e-01 5.20 -1.980928302e-01 -1.980928302e-01 5.22 -1.912094624e-01 -1.912094624e-01 5.24 -1.846373594e-01 -1.846373594e-01 5.26 -1.783535894e-01 -1.783535894e-01 5.28 -1.723369117e-01 -1.723369117e-01 5.30 -1.665679046e-01 -1.665679046e-01 5.32 -1.610290228e-01 -1.610290228e-01 5.34 -1.557045955e-01 -1.557045955e-01 5.36 -1.505807773e-01 -1.505807773e-01 5.38 -1.456454593e-01 -1.456454593e-01 5.40 -1.408881444e-01 -1.408881444e-01 5.42 -1.362997932e-01 -1.362997932e-01 5.44 -1.318726424e-01 -1.318726424e-01 5.46 -1.276000035e-01 -1.276000035e-01 5.48 -1.234760478e-01 -1.234760478e-01 5.50 -1.194955887e-01 -1.194955887e-01 5.52 -1.156538704e-01 -1.156538704e-01 5.54 -1.119463758e-01 -1.119463758e-01 5.56 -1.083686620e-01 -1.083686620e-01 5.58 -1.049162318e-01 -1.049162318e-01 5.60 -1.015844439e-01 -1.015844439e-01 5.62 -9.836846229e-02 -9.836846229e-02 5.64 -9.526323996e-02 -9.526323996e-02 5.66 -9.226353319e-02 -9.226353319e-02 5.68 -8.936393785e-02 -8.936393785e-02 5.70 -8.655893324e-02 -8.655893324e-02 5.72 -8.384293372e-02 -8.384293372e-02 5.74 -8.121033927e-02 -8.121033927e-02 5.76 -7.865556389e-02 -7.865556389e-02 5.78 -7.617310130e-02 -7.617310130e-02 5.80 -7.375755571e-02 -7.375755571e-02 5.82 -7.140365069e-02 -7.140365069e-02 5.84 -6.910624387e-02 -6.910624387e-02 5.86 -6.686042412e-02 -6.686042412e-02 5.88 -6.466141197e-02 -6.466141197e-02 5.90 -6.250446219e-02 -6.250446219e-02 5.92 -6.038501365e-02 -6.038501365e-02 5.94 -5.829869848e-02 -5.829869848e-02 5.96 -5.624135813e-02 -5.624135813e-02 5.98 -5.420906798e-02 -5.420906798e-02 6.00 -5.219817173e-02 -5.219817173e-02