# 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 = Fe2MgPb # 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 3.211332335e+02 3.211332335e+02 1.30 2.964593237e+02 2.964593237e+02 1.32 2.737008759e+02 2.737008759e+02 1.34 2.526999422e+02 2.526999422e+02 1.36 2.333133223e+02 2.333133223e+02 1.38 2.154101907e+02 2.154101907e+02 1.40 1.988707740e+02 1.988707740e+02 1.42 1.835857806e+02 1.835857806e+02 1.44 1.694558505e+02 1.694558505e+02 1.46 1.563907100e+02 1.563907100e+02 1.48 1.443081690e+02 1.443081690e+02 1.50 1.331331140e+02 1.331331140e+02 1.52 1.227965364e+02 1.227965364e+02 1.54 1.132345871e+02 1.132345871e+02 1.56 1.043877708e+02 1.043877708e+02 1.58 9.620047571e+01 9.620047571e+01 1.60 8.862086297e+01 8.862086297e+01 1.62 8.160094218e+01 8.160094218e+01 1.64 7.509689598e+01 7.509689598e+01 1.66 6.907592775e+01 6.907592775e+01 1.68 6.350542121e+01 6.350542121e+01 1.70 5.835277544e+01 5.835277544e+01 1.72 5.358833884e+01 5.358833884e+01 1.74 4.918463044e+01 4.918463044e+01 1.76 4.511574591e+01 4.511574591e+01 1.78 4.135705105e+01 4.135705105e+01 1.80 3.788515591e+01 3.788515591e+01 1.82 3.467806876e+01 3.467806876e+01 1.84 3.171534768e+01 3.171534768e+01 1.86 2.897816106e+01 2.897816106e+01 1.88 2.644923694e+01 2.644923694e+01 1.90 2.411272806e+01 2.411272806e+01 1.92 2.195404059e+01 2.195404059e+01 1.94 1.995966724e+01 1.995966724e+01 1.96 1.811703320e+01 1.811703320e+01 1.98 1.641439004e+01 1.641439004e+01 2.00 1.484075666e+01 1.484075666e+01 2.02 1.338590860e+01 1.338590860e+01 2.04 1.204040185e+01 1.204040185e+01 2.06 1.079560729e+01 1.079560729e+01 2.08 9.643724617e+00 9.643724617e+00 2.10 8.577756912e+00 8.577756912e+00 2.12 7.591441519e+00 7.591441519e+00 2.14 6.679147340e+00 6.679147340e+00 2.16 5.835765164e+00 5.835765164e+00 2.18 5.056606210e+00 5.056606210e+00 2.20 4.337320467e+00 4.337320467e+00 2.22 3.673839192e+00 3.673839192e+00 2.24 3.062339815e+00 3.062339815e+00 2.26 2.499228160e+00 2.499228160e+00 2.28 1.981126302e+00 1.981126302e+00 2.30 1.504870621e+00 1.504870621e+00 2.32 1.067495642e+00 1.067495642e+00 2.34 6.662311602e-01 6.662311602e-01 2.36 2.984869636e-01 2.984869636e-01 2.38 -3.815414775e-02 -3.815414775e-02 2.40 -3.459424841e-01 -3.459424841e-01 2.42 -6.269672242e-01 -6.269672242e-01 2.44 -8.831624152e-01 -8.831624152e-01 2.46 -1.116316301e+00 -1.116316301e+00 2.48 -1.328082584e+00 -1.328082584e+00 2.50 -1.519993255e+00 -1.519993255e+00 2.52 -1.693471373e+00 -1.693471373e+00 2.54 -1.849842438e+00 -1.849842438e+00 2.56 -1.990348375e+00 -1.990348375e+00 2.58 -2.116146264e+00 -2.116146264e+00 2.60 -2.228307030e+00 -2.228307030e+00 2.62 -2.327832881e+00 -2.327832881e+00 2.64 -2.415663261e+00 -2.415663261e+00 2.66 -2.492673279e+00 -2.492673279e+00 2.68 -2.559680243e+00 -2.559680243e+00 2.70 -2.617446521e+00 -2.617446521e+00 2.72 -2.666608719e+00 -2.666608719e+00 2.74 -2.707517565e+00 -2.707517565e+00 2.76 -2.740485403e+00 -2.740485403e+00 2.78 -2.765849980e+00 -2.765849980e+00 2.80 -2.783977323e+00 -2.783977323e+00 2.82 -2.795260010e+00 -2.795260010e+00 2.84 -2.800118094e+00 -2.800118094e+00 2.86 -2.798994676e+00 -2.798994676e+00 2.88 -2.792348668e+00 -2.792348668e+00 2.90 -2.780644708e+00 -2.780644708e+00 2.92 -2.764355769e+00 -2.764355769e+00 2.94 -2.743957986e+00 -2.743957986e+00 2.96 -2.719807641e+00 -2.719807641e+00 2.98 -2.692230450e+00 -2.692230450e+00 3.00 -2.661525894e+00 -2.661525894e+00 3.02 -2.627964063e+00 -2.627964063e+00 3.04 -2.591784886e+00 -2.591784886e+00 3.06 -2.553194293e+00 -2.553194293e+00 3.08 -2.512378199e+00 -2.512378199e+00 3.10 -2.469457248e+00 -2.469457248e+00 3.12 -2.424532450e+00 -2.424532450e+00 3.14 -2.377716910e+00 -2.377716910e+00 3.16 -2.329136107e+00 -2.329136107e+00 3.18 -2.278936661e+00 -2.278936661e+00 3.20 -2.227232772e+00 -2.227232772e+00 3.22 -2.174110703e+00 -2.174110703e+00 3.24 -2.119708355e+00 -2.119708355e+00 3.26 -2.064218756e+00 -2.064218756e+00 3.28 -2.007885723e+00 -2.007885723e+00 3.30 -1.950995715e+00 -1.950995715e+00 3.32 -1.893865830e+00 -1.893865830e+00 3.34 -1.836828603e+00 -1.836828603e+00 3.36 -1.780215037e+00 -1.780215037e+00 3.38 -1.724337802e+00 -1.724337802e+00 3.40 -1.669476250e+00 -1.669476250e+00 3.42 -1.615866821e+00 -1.615866821e+00 3.44 -1.563694484e+00 -1.563694484e+00 3.46 -1.513092448e+00 -1.513092448e+00 3.48 -1.464143960e+00 -1.464143960e+00 3.50 -1.416887507e+00 -1.416887507e+00 3.52 -1.371323926e+00 -1.371323926e+00 3.54 -1.327424340e+00 -1.327424340e+00 3.56 -1.285138113e+00 -1.285138113e+00 3.58 -1.244400201e+00 -1.244400201e+00 3.60 -1.205137556e+00 -1.205137556e+00 3.62 -1.167274406e+00 -1.167274406e+00 3.64 -1.130736361e+00 -1.130736361e+00 3.66 -1.095453386e+00 -1.095453386e+00 3.68 -1.061361703e+00 -1.061361703e+00 3.70 -1.028404725e+00 -1.028404725e+00 3.72 -9.965331483e-01 -9.965331483e-01 3.74 -9.657043514e-01 -9.657043514e-01 3.76 -9.358813057e-01 -9.358813057e-01 3.78 -9.070312175e-01 -9.070312175e-01 3.80 -8.791241286e-01 -8.791241286e-01 3.82 -8.521316654e-01 -8.521316654e-01 3.84 -8.260260642e-01 -8.260260642e-01 3.86 -8.007795191e-01 -8.007795191e-01 3.88 -7.763638343e-01 -7.763638343e-01 3.90 -7.527503209e-01 -7.527503209e-01 3.92 -7.299093012e-01 -7.299093012e-01 3.94 -7.078126664e-01 -7.078126664e-01 3.96 -6.864303891e-01 -6.864303891e-01 3.98 -6.657334550e-01 -6.657334550e-01 4.00 -6.456934669e-01 -6.456934669e-01 4.02 -6.262829358e-01 -6.262829358e-01 4.04 -6.074755315e-01 -6.074755315e-01 4.06 -5.892462765e-01 -5.892462765e-01 4.08 -5.715716708e-01 -5.715716708e-01 4.10 -5.544281509e-01 -5.544281509e-01 4.12 -5.377987803e-01 -5.377987803e-01 4.14 -5.216626533e-01 -5.216626533e-01 4.16 -5.060022178e-01 -5.060022178e-01 4.18 -4.908011974e-01 -4.908011974e-01 4.20 -4.760444650e-01 -4.760444650e-01 4.22 -4.617179138e-01 -4.617179138e-01 4.24 -4.478083299e-01 -4.478083299e-01 4.26 -4.343032724e-01 -4.343032724e-01 4.28 -4.211909638e-01 -4.211909638e-01 4.30 -4.084601935e-01 -4.084601935e-01 4.32 -3.961002333e-01 -3.961002333e-01 4.34 -3.841007671e-01 -3.841007671e-01 4.36 -3.724518327e-01 -3.724518327e-01 4.38 -3.611437751e-01 -3.611437751e-01 4.40 -3.501672094e-01 -3.501672094e-01 4.42 -3.395129919e-01 -3.395129919e-01 4.44 -3.291721977e-01 -3.291721977e-01 4.46 -3.191361042e-01 -3.191361042e-01 4.48 -3.093961782e-01 -3.093961782e-01 4.50 -2.999440660e-01 -2.999440660e-01 4.52 -2.907715859e-01 -2.907715859e-01 4.54 -2.818707213e-01 -2.818707213e-01 4.56 -2.732336161e-01 -2.732336161e-01 4.58 -2.648525697e-01 -2.648525697e-01 4.60 -2.567200323e-01 -2.567200323e-01 4.62 -2.488286010e-01 -2.488286010e-01 4.64 -2.411710151e-01 -2.411710151e-01 4.66 -2.337401519e-01 -2.337401519e-01 4.68 -2.265290220e-01 -2.265290220e-01 4.70 -2.195307653e-01 -2.195307653e-01 4.72 -2.127386462e-01 -2.127386462e-01 4.74 -2.061460497e-01 -2.061460497e-01 4.76 -1.997464775e-01 -1.997464775e-01 4.78 -1.935335447e-01 -1.935335447e-01 4.80 -1.874999860e-01 -1.874999860e-01 4.82 -1.816417818e-01 -1.816417818e-01 4.84 -1.759516738e-01 -1.759516738e-01 4.86 -1.704236581e-01 -1.704236581e-01 4.88 -1.650519257e-01 -1.650519257e-01 4.90 -1.598307916e-01 -1.598307916e-01 4.92 -1.547546995e-01 -1.547546995e-01 4.94 -1.498182353e-01 -1.498182353e-01 4.96 -1.450161449e-01 -1.450161449e-01 4.98 -1.403433569e-01 -1.403433569e-01 5.00 -1.357950082e-01 -1.357950082e-01 5.02 -1.313664757e-01 -1.313664757e-01 5.04 -1.270534102e-01 -1.270534102e-01 5.06 -1.228517757e-01 -1.228517757e-01 5.08 -1.187578836e-01 -1.187578836e-01 5.10 -1.147684327e-01 -1.147684327e-01 5.12 -1.108805434e-01 -1.108805434e-01 5.14 -1.070917840e-01 -1.070917840e-01 5.16 -1.034001872e-01 -1.034001872e-01 5.18 -9.980425197e-02 -9.980425197e-02 5.20 -9.630292761e-02 -9.630292761e-02 5.22 -9.289557846e-02 -9.289557846e-02 5.24 -8.958192793e-02 -8.958192793e-02 5.26 -8.636191961e-02 -8.636191961e-02 5.28 -8.323538500e-02 -8.323538500e-02 5.30 -8.020270860e-02 -8.020270860e-02 5.32 -7.726432378e-02 -7.726432378e-02 5.34 -7.442051155e-02 -7.442051155e-02 5.36 -7.167130466e-02 -7.167130466e-02 5.38 -6.901640880e-02 -6.901640880e-02 5.40 -6.645514444e-02 -6.645514444e-02 5.42 -6.398641106e-02 -6.398641106e-02 5.44 -6.160867259e-02 -6.160867259e-02 5.46 -5.931996186e-02 -5.931996186e-02 5.48 -5.711790030e-02 -5.711790030e-02 5.50 -5.499972935e-02 -5.499972935e-02 5.52 -5.296235010e-02 -5.296235010e-02 5.54 -5.100236877e-02 -5.100236877e-02 5.56 -4.911614585e-02 -4.911614585e-02 5.58 -4.729984776e-02 -4.729984776e-02 5.60 -4.554949993e-02 -4.554949993e-02 5.62 -4.386104028e-02 -4.386104028e-02 5.64 -4.223037205e-02 -4.223037205e-02 5.66 -4.065341507e-02 -4.065341507e-02 5.68 -3.912615441e-02 -3.912615441e-02 5.70 -3.764468549e-02 -3.764468549e-02 5.72 -3.620525538e-02 -3.620525538e-02 5.74 -3.480429991e-02 -3.480429991e-02 5.76 -3.343847696e-02 -3.343847696e-02 5.78 -3.210469615e-02 -3.210469615e-02 5.80 -3.080014490e-02 -3.080014490e-02 5.82 -2.952231273e-02 -2.952231273e-02 5.84 -2.826901305e-02 -2.826901305e-02 5.86 -2.703840275e-02 -2.703840275e-02 5.88 -2.582899932e-02 -2.582899932e-02 5.90 -2.463969486e-02 -2.463969486e-02 5.92 -2.346976613e-02 -2.346976613e-02 5.94 -2.231887915e-02 -2.231887915e-02 5.96 -2.118708717e-02 -2.118708717e-02 5.98 -2.007482031e-02 -2.007482031e-02 6.00 -1.898286590e-02 -1.898286590e-02