# 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 = AgFe2Ti # 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 2.340616288e+02 2.340616288e+02 1.30 2.148713640e+02 2.148713640e+02 1.32 1.972276909e+02 1.972276909e+02 1.34 1.809953016e+02 1.809953016e+02 1.36 1.660536584e+02 1.660536584e+02 1.38 1.522957197e+02 1.522957197e+02 1.40 1.396257025e+02 1.396257025e+02 1.42 1.279569369e+02 1.279569369e+02 1.44 1.172105606e+02 1.172105606e+02 1.46 1.073148666e+02 1.073148666e+02 1.48 9.820467011e+01 9.820467011e+01 1.50 8.982040141e+01 8.982040141e+01 1.52 8.210702372e+01 8.210702372e+01 1.54 7.501304624e+01 7.501304624e+01 1.56 6.848993103e+01 6.848993103e+01 1.58 6.249195639e+01 6.249195639e+01 1.60 5.697631683e+01 5.697631683e+01 1.62 5.190323158e+01 5.190323158e+01 1.64 4.723596299e+01 4.723596299e+01 1.66 4.294072162e+01 4.294072162e+01 1.68 3.898654887e+01 3.898654887e+01 1.70 3.534521820e+01 3.534521820e+01 1.72 3.199243515e+01 3.199243515e+01 1.74 2.890544084e+01 2.890544084e+01 1.76 2.606320909e+01 2.606320909e+01 1.78 2.344678085e+01 2.344678085e+01 1.80 2.103896557e+01 2.103896557e+01 1.82 1.882409479e+01 1.882409479e+01 1.84 1.678782870e+01 1.678782870e+01 1.86 1.491697867e+01 1.491697867e+01 1.88 1.319932293e+01 1.319932293e+01 1.90 1.162342285e+01 1.162342285e+01 1.92 1.017846239e+01 1.017846239e+01 1.94 8.854141357e+00 8.854141357e+00 1.96 7.640644244e+00 7.640644244e+00 1.98 6.528678667e+00 6.528678667e+00 2.00 5.509546538e+00 5.509546538e+00 2.02 4.575210121e+00 4.575210121e+00 2.04 3.718337310e+00 3.718337310e+00 2.06 2.932325011e+00 2.932325011e+00 2.08 2.211297661e+00 2.211297661e+00 2.10 1.550072781e+00 1.550072781e+00 2.12 9.440888603e-01 9.440888603e-01 2.14 3.893033840e-01 3.893033840e-01 2.16 -1.179185437e-01 -1.179185437e-01 2.18 -5.809040799e-01 -5.809040799e-01 2.20 -1.002748932e+00 -1.002748932e+00 2.22 -1.386369036e+00 -1.386369036e+00 2.24 -1.734530880e+00 -1.734530880e+00 2.26 -2.049864259e+00 -2.049864259e+00 2.28 -2.334860760e+00 -2.334860760e+00 2.30 -2.591861987e+00 -2.591861987e+00 2.32 -2.823044617e+00 -2.823044617e+00 2.34 -3.030407703e+00 -3.030407703e+00 2.36 -3.215769166e+00 -3.215769166e+00 2.38 -3.380773912e+00 -3.380773912e+00 2.40 -3.526913335e+00 -3.526913335e+00 2.42 -3.655551569e+00 -3.655551569e+00 2.44 -3.767977825e+00 -3.767977825e+00 2.46 -3.865418262e+00 -3.865418262e+00 2.48 -3.948920950e+00 -3.948920950e+00 2.50 -4.019500331e+00 -4.019500331e+00 2.52 -4.078148031e+00 -4.078148031e+00 2.54 -4.125829708e+00 -4.125829708e+00 2.56 -4.163478708e+00 -4.163478708e+00 2.58 -4.191969818e+00 -4.191969818e+00 2.60 -4.212003806e+00 -4.212003806e+00 2.62 -4.224206412e+00 -4.224206412e+00 2.64 -4.229184870e+00 -4.229184870e+00 2.66 -4.227518333e+00 -4.227518333e+00 2.68 -4.219725117e+00 -4.219725117e+00 2.70 -4.206273220e+00 -4.206273220e+00 2.72 -4.187585880e+00 -4.187585880e+00 2.74 -4.164046878e+00 -4.164046878e+00 2.76 -4.136008362e+00 -4.136008362e+00 2.78 -4.103870511e+00 -4.103870511e+00 2.80 -4.067931648e+00 -4.067931648e+00 2.82 -4.028056599e+00 -4.028056599e+00 2.84 -3.984094098e+00 -3.984094098e+00 2.86 -3.935995278e+00 -3.935995278e+00 2.88 -3.883801300e+00 -3.883801300e+00 2.90 -3.827629219e+00 -3.827629219e+00 2.92 -3.767658534e+00 -3.767658534e+00 2.94 -3.704125322e+00 -3.704125322e+00 2.96 -3.637300434e+00 -3.637300434e+00 2.98 -3.567473881e+00 -3.567473881e+00 3.00 -3.494947539e+00 -3.494947539e+00 3.02 -3.420029570e+00 -3.420029570e+00 3.04 -3.343028869e+00 -3.343028869e+00 3.06 -3.264248722e+00 -3.264248722e+00 3.08 -3.183979394e+00 -3.183979394e+00 3.10 -3.102492288e+00 -3.102492288e+00 3.12 -3.020037150e+00 -3.020037150e+00 3.14 -2.936844323e+00 -2.936844323e+00 3.16 -2.853131245e+00 -2.853131245e+00 3.18 -2.769112525e+00 -2.769112525e+00 3.20 -2.685010441e+00 -2.685010441e+00 3.22 -2.601063664e+00 -2.601063664e+00 3.24 -2.517532168e+00 -2.517532168e+00 3.26 -2.434697176e+00 -2.434697176e+00 3.28 -2.352855922e+00 -2.352855922e+00 3.30 -2.272311931e+00 -2.272311931e+00 3.32 -2.193362209e+00 -2.193362209e+00 3.34 -2.116283269e+00 -2.116283269e+00 3.36 -2.041318019e+00 -2.041318019e+00 3.38 -1.968665335e+00 -1.968665335e+00 3.40 -1.898473604e+00 -1.898473604e+00 3.42 -1.830838905e+00 -1.830838905e+00 3.44 -1.765807386e+00 -1.765807386e+00 3.46 -1.703381409e+00 -1.703381409e+00 3.48 -1.643527884e+00 -1.643527884e+00 3.50 -1.586187494e+00 -1.586187494e+00 3.52 -1.531283373e+00 -1.531283373e+00 3.54 -1.478728162e+00 -1.478728162e+00 3.56 -1.428428841e+00 -1.428428841e+00 3.58 -1.380289312e+00 -1.380289312e+00 3.60 -1.334211261e+00 -1.334211261e+00 3.62 -1.290094124e+00 -1.290094124e+00 3.64 -1.247835023e+00 -1.247835023e+00 3.66 -1.207329246e+00 -1.207329246e+00 3.68 -1.168471474e+00 -1.168471474e+00 3.70 -1.131157580e+00 -1.131157580e+00 3.72 -1.095286638e+00 -1.095286638e+00 3.74 -1.060762778e+00 -1.060762778e+00 3.76 -1.027496593e+00 -1.027496593e+00 3.78 -9.954060109e-01 -9.954060109e-01 3.80 -9.644166139e-01 -9.644166139e-01 3.82 -9.344615200e-01 -9.344615200e-01 3.84 -9.054809349e-01 -9.054809349e-01 3.86 -8.774215073e-01 -8.774215073e-01 3.88 -8.502355846e-01 -8.502355846e-01 3.90 -8.238804501e-01 -8.238804501e-01 3.92 -7.983175689e-01 -7.983175689e-01 3.94 -7.735120233e-01 -7.735120233e-01 3.96 -7.494317719e-01 -7.494317719e-01 3.98 -7.260472716e-01 -7.260472716e-01 4.00 -7.033310475e-01 -7.033310475e-01 4.02 -6.812573833e-01 -6.812573833e-01 4.04 -6.598020957e-01 -6.598020957e-01 4.06 -6.389423877e-01 -6.389423877e-01 4.08 -6.186567763e-01 -6.186567763e-01 4.10 -5.989250110e-01 -5.989250110e-01 4.12 -5.797284450e-01 -5.797284450e-01 4.14 -5.610496390e-01 -5.610496390e-01 4.16 -5.428728515e-01 -5.428728515e-01 4.18 -5.251841005e-01 -5.251841005e-01 4.20 -5.079713110e-01 -5.079713110e-01 4.22 -4.912244238e-01 -4.912244238e-01 4.24 -4.749354353e-01 -4.749354353e-01 4.26 -4.590983338e-01 -4.590983338e-01 4.28 -4.437089073e-01 -4.437089073e-01 4.30 -4.287644107e-01 -4.287644107e-01 4.32 -4.142630950e-01 -4.142630950e-01 4.34 -4.002036274e-01 -4.002036274e-01 4.36 -3.865844493e-01 -3.865844493e-01 4.38 -3.734031321e-01 -3.734031321e-01 4.40 -3.606558018e-01 -3.606558018e-01 4.42 -3.483366897e-01 -3.483366897e-01 4.44 -3.364378510e-01 -3.364378510e-01 4.46 -3.249490202e-01 -3.249490202e-01 4.48 -3.138575678e-01 -3.138575678e-01 4.50 -3.031492657e-01 -3.031492657e-01 4.52 -2.928082291e-01 -2.928082291e-01 4.54 -2.828172533e-01 -2.828172533e-01 4.56 -2.731582351e-01 -2.731582351e-01 4.58 -2.638125696e-01 -2.638125696e-01 4.60 -2.547615012e-01 -2.547615012e-01 4.62 -2.459864196e-01 -2.459864196e-01 4.64 -2.374691019e-01 -2.374691019e-01 4.66 -2.291919088e-01 -2.291919088e-01 4.68 -2.211379469e-01 -2.211379469e-01 4.70 -2.132912113e-01 -2.132912113e-01 4.72 -2.056367218e-01 -2.056367218e-01 4.74 -1.981606634e-01 -1.981606634e-01 4.76 -1.908505423e-01 -1.908505423e-01 4.78 -1.836953587e-01 -1.836953587e-01 4.80 -1.766857573e-01 -1.766857573e-01 4.82 -1.698144096e-01 -1.698144096e-01 4.84 -1.630759433e-01 -1.630759433e-01 4.86 -1.564673275e-01 -1.564673275e-01 4.88 -1.499879730e-01 -1.499879730e-01 4.90 -1.436398179e-01 -1.436398179e-01 4.92 -1.374273155e-01 -1.374273155e-01 4.94 -1.313573005e-01 -1.313573005e-01 4.96 -1.254387110e-01 -1.254387110e-01 4.98 -1.196821605e-01 -1.196821605e-01 5.00 -1.140993676e-01 -1.140993676e-01 5.02 -1.087024719e-01 -1.087024719e-01 5.04 -1.035032817e-01 -1.035032817e-01 5.06 -9.851251381e-02 -9.851251381e-02 5.08 -9.373903047e-02 -9.373903047e-02 5.10 -8.918923817e-02 -8.918923817e-02 5.12 -8.486701425e-02 -8.486701425e-02 5.14 -8.077322718e-02 -8.077322718e-02 5.16 -7.690570910e-02 -7.690570910e-02 5.18 -7.325943394e-02 -7.325943394e-02 5.20 -6.982684237e-02 -6.982684237e-02 5.22 -6.659826611e-02 -6.659826611e-02 5.24 -6.356240240e-02 -6.356240240e-02 5.26 -6.070679446e-02 -6.070679446e-02 5.28 -5.801828295e-02 -5.801828295e-02 5.30 -5.548340444e-02 -5.548340444e-02 5.32 -5.308872377e-02 -5.308872377e-02 5.34 -5.082109658e-02 -5.082109658e-02 5.36 -4.866786484e-02 -4.866786484e-02 5.38 -4.661699341e-02 -4.661699341e-02 5.40 -4.465715762e-02 -4.465715762e-02 5.42 -4.277779341e-02 -4.277779341e-02 5.44 -4.096912074e-02 -4.096912074e-02 5.46 -3.922215053e-02 -3.922215053e-02 5.48 -3.752868366e-02 -3.752868366e-02 5.50 -3.588130933e-02 -3.588130933e-02 5.52 -3.427340789e-02 -3.427340789e-02 5.54 -3.269916245e-02 -3.269916245e-02 5.56 -3.115358038e-02 -3.115358038e-02 5.58 -2.963252456e-02 -2.963252456e-02 5.60 -2.813275430e-02 -2.813275430e-02 5.62 -2.665197021e-02 -2.665197021e-02 5.64 -2.518885775e-02 -2.518885775e-02 5.66 -2.374312167e-02 -2.374312167e-02 5.68 -2.231550246e-02 -2.231550246e-02 5.70 -2.090776520e-02 -2.090776520e-02 5.72 -1.952265192e-02 -1.952265192e-02 5.74 -1.816379026e-02 -1.816379026e-02 5.76 -1.683555464e-02 -1.683555464e-02 5.78 -1.554266048e-02 -1.554266048e-02 5.80 -1.429028326e-02 -1.429028326e-02 5.82 -1.308390569e-02 -1.308390569e-02 5.84 -1.192881252e-02 -1.192881252e-02 5.86 -1.082983081e-02 -1.082983081e-02 5.88 -9.791098433e-03 -9.791098433e-03 5.90 -8.815877949e-03 -8.815877949e-03 5.92 -7.906428657e-03 -7.906428657e-03 5.94 -7.063943033e-03 -7.063943033e-03 5.96 -6.288547172e-03 -6.288547172e-03 5.98 -5.579358692e-03 -5.579358692e-03 6.00 -4.934591074e-03 -4.934591074e-03