# 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 = Ag2AlNi # 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 1.633092836e+02 1.633092836e+02 1.30 1.510595062e+02 1.510595062e+02 1.32 1.397308066e+02 1.397308066e+02 1.34 1.292478913e+02 1.292478913e+02 1.36 1.195426466e+02 1.195426466e+02 1.38 1.105544436e+02 1.105544436e+02 1.40 1.022288343e+02 1.022288343e+02 1.42 9.451564427e+01 9.451564427e+01 1.44 8.736745446e+01 8.736745446e+01 1.46 8.073905969e+01 8.073905969e+01 1.48 7.458809485e+01 7.458809485e+01 1.50 6.887619131e+01 6.887619131e+01 1.52 6.356955986e+01 6.356955986e+01 1.54 5.863851676e+01 5.863851676e+01 1.56 5.405639550e+01 5.405639550e+01 1.58 4.979854464e+01 4.979854464e+01 1.60 4.584187073e+01 4.584187073e+01 1.62 4.216687232e+01 4.216687232e+01 1.64 3.875462758e+01 3.875462758e+01 1.66 3.558724053e+01 3.558724053e+01 1.68 3.264653471e+01 3.264653471e+01 1.70 2.991566876e+01 2.991566876e+01 1.72 2.737922880e+01 2.737922880e+01 1.74 2.502315525e+01 2.502315525e+01 1.76 2.283455268e+01 2.283455268e+01 1.78 2.080151482e+01 2.080151482e+01 1.80 1.891307066e+01 1.891307066e+01 1.82 1.715922025e+01 1.715922025e+01 1.84 1.553093775e+01 1.553093775e+01 1.86 1.402005337e+01 1.402005337e+01 1.88 1.261902616e+01 1.261902616e+01 1.90 1.132068885e+01 1.132068885e+01 1.92 1.011805460e+01 1.011805460e+01 1.94 9.004246576e+00 9.004246576e+00 1.96 7.972564488e+00 7.972564488e+00 1.98 7.016645007e+00 7.016645007e+00 2.00 6.130634172e+00 6.130634172e+00 2.02 5.309296405e+00 5.309296405e+00 2.04 4.548026440e+00 4.548026440e+00 2.06 3.842774450e+00 3.842774450e+00 2.08 3.189922290e+00 3.189922290e+00 2.10 2.586155847e+00 2.586155847e+00 2.12 2.028366508e+00 2.028366508e+00 2.14 1.513593931e+00 1.513593931e+00 2.16 1.039005469e+00 1.039005469e+00 2.18 6.019001634e-01 6.019001634e-01 2.20 1.997243049e-01 1.997243049e-01 2.22 -1.699127501e-01 -1.699127501e-01 2.24 -5.092303913e-01 -5.092303913e-01 2.26 -8.202793477e-01 -8.202793477e-01 2.28 -1.104953815e+00 -1.104953815e+00 2.30 -1.365009027e+00 -1.365009027e+00 2.32 -1.602079121e+00 -1.602079121e+00 2.34 -1.817689621e+00 -1.817689621e+00 2.36 -2.013261549e+00 -2.013261549e+00 2.38 -2.190109069e+00 -2.190109069e+00 2.40 -2.349437944e+00 -2.349437944e+00 2.42 -2.492352634e+00 -2.492352634e+00 2.44 -2.619874868e+00 -2.619874868e+00 2.46 -2.732970248e+00 -2.732970248e+00 2.48 -2.832571862e+00 -2.832571862e+00 2.50 -2.919602484e+00 -2.919602484e+00 2.52 -2.994986474e+00 -2.994986474e+00 2.54 -3.059654374e+00 -3.059654374e+00 2.56 -3.114543991e+00 -3.114543991e+00 2.58 -3.160598181e+00 -3.160598181e+00 2.60 -3.199032739e+00 -3.199032739e+00 2.62 -3.231265256e+00 -3.231265256e+00 2.64 -3.257712986e+00 -3.257712986e+00 2.66 -3.278751601e+00 -3.278751601e+00 2.68 -3.294738594e+00 -3.294738594e+00 2.70 -3.305990609e+00 -3.305990609e+00 2.72 -3.312777355e+00 -3.312777355e+00 2.74 -3.315327672e+00 -3.315327672e+00 2.76 -3.313927040e+00 -3.313927040e+00 2.78 -3.308866231e+00 -3.308866231e+00 2.80 -3.300156728e+00 -3.300156728e+00 2.82 -3.287825422e+00 -3.287825422e+00 2.84 -3.271917870e+00 -3.271917870e+00 2.86 -3.252492302e+00 -3.252492302e+00 2.88 -3.229617263e+00 -3.229617263e+00 2.90 -3.203372491e+00 -3.203372491e+00 2.92 -3.173852376e+00 -3.173852376e+00 2.94 -3.141173918e+00 -3.141173918e+00 2.96 -3.105490761e+00 -3.105490761e+00 2.98 -3.066990671e+00 -3.066990671e+00 3.00 -3.025899208e+00 -3.025899208e+00 3.02 -2.982483539e+00 -2.982483539e+00 3.04 -2.937051094e+00 -2.937051094e+00 3.06 -2.889941582e+00 -2.889941582e+00 3.08 -2.841512170e+00 -2.841512170e+00 3.10 -2.792117951e+00 -2.792117951e+00 3.12 -2.742091211e+00 -2.742091211e+00 3.14 -2.691723783e+00 -2.691723783e+00 3.16 -2.641255652e+00 -2.641255652e+00 3.18 -2.590871296e+00 -2.590871296e+00 3.20 -2.540702923e+00 -2.540702923e+00 3.22 -2.490838522e+00 -2.490838522e+00 3.24 -2.441332161e+00 -2.441332161e+00 3.26 -2.392214358e+00 -2.392214358e+00 3.28 -2.343501103e+00 -2.343501103e+00 3.30 -2.295200892e+00 -2.295200892e+00 3.32 -2.247319687e+00 -2.247319687e+00 3.34 -2.199864078e+00 -2.199864078e+00 3.36 -2.152843005e+00 -2.152843005e+00 3.38 -2.106268427e+00 -2.106268427e+00 3.40 -2.060155258e+00 -2.060155258e+00 3.42 -2.014520855e+00 -2.014520855e+00 3.44 -1.969384215e+00 -1.969384215e+00 3.46 -1.924765077e+00 -1.924765077e+00 3.48 -1.880683028e+00 -1.880683028e+00 3.50 -1.837156681e+00 -1.837156681e+00 3.52 -1.794202999e+00 -1.794202999e+00 3.54 -1.751836757e+00 -1.751836757e+00 3.56 -1.710070171e+00 -1.710070171e+00 3.58 -1.668912640e+00 -1.668912640e+00 3.60 -1.628370621e+00 -1.628370621e+00 3.62 -1.588447577e+00 -1.588447577e+00 3.64 -1.549144034e+00 -1.549144034e+00 3.66 -1.510457736e+00 -1.510457736e+00 3.68 -1.472383940e+00 -1.472383940e+00 3.70 -1.434915877e+00 -1.434915877e+00 3.72 -1.398045399e+00 -1.398045399e+00 3.74 -1.361763813e+00 -1.361763813e+00 3.76 -1.326062854e+00 -1.326062854e+00 3.78 -1.290935706e+00 -1.290935706e+00 3.80 -1.256377930e+00 -1.256377930e+00 3.82 -1.222388130e+00 -1.222388130e+00 3.84 -1.188968191e+00 -1.188968191e+00 3.86 -1.156122957e+00 -1.156122957e+00 3.88 -1.123859315e+00 -1.123859315e+00 3.90 -1.092184759e+00 -1.092184759e+00 3.92 -1.061105623e+00 -1.061105623e+00 3.94 -1.030625276e+00 -1.030625276e+00 3.96 -1.000742522e+00 -1.000742522e+00 3.98 -9.714505126e-01 -9.714505126e-01 4.00 -9.427362697e-01 -9.427362697e-01 4.02 -9.145808576e-01 -9.145808576e-01 4.04 -8.869601304e-01 -8.869601304e-01 4.06 -8.598459233e-01 -8.598459233e-01 4.08 -8.332075385e-01 -8.332075385e-01 4.10 -8.070133886e-01 -8.070133886e-01 4.12 -7.812327679e-01 -7.812327679e-01 4.14 -7.558375133e-01 -7.558375133e-01 4.16 -7.308037400e-01 -7.308037400e-01 4.18 -7.061134149e-01 -7.061134149e-01 4.20 -6.817557704e-01 -6.817557704e-01 4.22 -6.577284455e-01 -6.577284455e-01 4.24 -6.340382366e-01 -6.340382366e-01 4.26 -6.107013323e-01 -6.107013323e-01 4.28 -5.877429292e-01 -5.877429292e-01 4.30 -5.651961795e-01 -5.651961795e-01 4.32 -5.431004936e-01 -5.431004936e-01 4.34 -5.214993142e-01 -5.214993142e-01 4.36 -5.004375538e-01 -5.004375538e-01 4.38 -4.799589407e-01 -4.799589407e-01 4.40 -4.601035165e-01 -4.601035165e-01 4.42 -4.409054922e-01 -4.409054922e-01 4.44 -4.223915879e-01 -4.223915879e-01 4.46 -4.045799017e-01 -4.045799017e-01 4.48 -3.874792775e-01 -3.874792775e-01 4.50 -3.710891024e-01 -3.710891024e-01 4.52 -3.553994539e-01 -3.553994539e-01 4.54 -3.403915326e-01 -3.403915326e-01 4.56 -3.260383355e-01 -3.260383355e-01 4.58 -3.123055464e-01 -3.123055464e-01 4.60 -2.991526189e-01 -2.991526189e-01 4.62 -2.865340258e-01 -2.865340258e-01 4.64 -2.744006330e-01 -2.744006330e-01 4.66 -2.627011459e-01 -2.627011459e-01 4.68 -2.513835768e-01 -2.513835768e-01 4.70 -2.403966830e-01 -2.403966830e-01 4.72 -2.296913393e-01 -2.296913393e-01 4.74 -2.192218237e-01 -2.192218237e-01 4.76 -2.089470023e-01 -2.089470023e-01 4.78 -1.988314098e-01 -1.988314098e-01 4.80 -1.888462083e-01 -1.888462083e-01 4.82 -1.789700504e-01 -1.789700504e-01 4.84 -1.691897139e-01 -1.691897139e-01 4.86 -1.595006032e-01 -1.595006032e-01 4.88 -1.499069562e-01 -1.499069562e-01 4.90 -1.404217377e-01 -1.404217377e-01 4.92 -1.310661590e-01 -1.310661590e-01 4.94 -1.218687850e-01 -1.218687850e-01 4.96 -1.128642261e-01 -1.128642261e-01 4.98 -1.040914492e-01 -1.040914492e-01 5.00 -9.559179177e-02 -9.559179177e-02 5.02 -8.740680653e-02 -8.740680653e-02 5.04 -7.957608653e-02 -7.957608653e-02 5.06 -7.213523825e-02 -7.213523825e-02 5.08 -6.511416120e-02 -6.511416120e-02 5.10 -5.853575078e-02 -5.853575078e-02 5.12 -5.241510240e-02 -5.241510240e-02 5.14 -4.675924378e-02 -4.675924378e-02 5.16 -4.156734764e-02 -4.156734764e-02 5.18 -3.683135176e-02 -3.683135176e-02 5.20 -3.253673572e-02 -3.253673572e-02 5.22 -2.866367074e-02 -2.866367074e-02 5.24 -2.518888859e-02 -2.518888859e-02 5.26 -2.208622103e-02 -2.208622103e-02 5.28 -1.932731469e-02 -1.932731469e-02 5.30 -1.688363739e-02 -1.688363739e-02 5.32 -1.472685462e-02 -1.472685462e-02 5.34 -1.282923899e-02 -1.282923899e-02 5.36 -1.116421752e-02 -1.116421752e-02 5.38 -9.706752699e-03 -9.706752699e-03 5.40 -8.433582765e-03 -8.433582765e-03 5.42 -7.323347627e-03 -7.323347627e-03 5.44 -6.356625782e-03 -6.356625782e-03 5.46 -5.515904832e-03 -5.515904832e-03 5.48 -4.785504904e-03 -4.785504904e-03 5.50 -4.151470807e-03 -4.151470807e-03 5.52 -3.601445446e-03 -3.601445446e-03 5.54 -3.124534078e-03 -3.124534078e-03 5.56 -2.711166474e-03 -2.711166474e-03 5.58 -2.352962004e-03 -2.352962004e-03 5.60 -2.042601006e-03 -2.042601006e-03 5.62 -1.773704564e-03 -1.773704564e-03 5.64 -1.540723838e-03 -1.540723838e-03 5.66 -1.338839432e-03 -1.338839432e-03 5.68 -1.163870754e-03 -1.163870754e-03 5.70 -1.012195044e-03 -1.012195044e-03 5.72 -8.806754906e-04 -8.806754906e-04 5.74 -7.665977685e-04 -7.665977685e-04 5.76 -6.676142589e-04 -6.676142589e-04 5.78 -5.816951999e-04 -5.816951999e-04 5.80 -5.070860413e-04 -5.070860413e-04 5.82 -4.422703118e-04 -4.422703118e-04 5.84 -3.859373525e-04 -3.859373525e-04 5.86 -3.369543301e-04 -3.369543301e-04 5.88 -2.943419962e-04 -2.943419962e-04 5.90 -2.572537163e-04 -2.572537163e-04 5.92 -2.249573450e-04 -2.249573450e-04 5.94 -1.968195713e-04 -1.968195713e-04 5.96 -1.722924073e-04 -1.722924073e-04 5.98 -1.509015296e-04 -1.509015296e-04 6.00 -1.322362243e-04 -1.322362243e-04