# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2TaTi # 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 2026-06-16 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 3.252715869e+02 3.252715869e+02 1.28 3.026696183e+02 3.026696183e+02 1.30 2.816766790e+02 2.816766790e+02 1.32 2.621655795e+02 2.621655795e+02 1.34 2.440187505e+02 2.440187505e+02 1.36 2.271293595e+02 2.271293595e+02 1.38 2.114024770e+02 2.114024770e+02 1.40 1.967522232e+02 1.967522232e+02 1.42 1.830966668e+02 1.830966668e+02 1.44 1.703569509e+02 1.703569509e+02 1.46 1.584610490e+02 1.584610490e+02 1.48 1.473457414e+02 1.473457414e+02 1.50 1.369548427e+02 1.369548427e+02 1.52 1.272364376e+02 1.272364376e+02 1.54 1.181416029e+02 1.181416029e+02 1.56 1.096250386e+02 1.096250386e+02 1.58 1.016461463e+02 1.016461463e+02 1.60 9.416935118e+01 9.416935118e+01 1.62 8.716353999e+01 8.716353999e+01 1.64 8.060080734e+01 8.060080734e+01 1.66 7.445493925e+01 7.445493925e+01 1.68 6.870041819e+01 6.870041819e+01 1.70 6.331240121e+01 6.331240121e+01 1.72 5.827165746e+01 5.827165746e+01 1.74 5.356909188e+01 5.356909188e+01 1.76 4.918669763e+01 4.918669763e+01 1.78 4.510370659e+01 4.510370659e+01 1.80 4.130023545e+01 4.130023545e+01 1.82 3.775775373e+01 3.775775373e+01 1.84 3.445875456e+01 3.445875456e+01 1.86 3.138678884e+01 3.138678884e+01 1.88 2.852663792e+01 2.852663792e+01 1.90 2.586445353e+01 2.586445353e+01 1.92 2.338773880e+01 2.338773880e+01 1.94 2.108509783e+01 2.108509783e+01 1.96 1.894584428e+01 1.894584428e+01 1.98 1.695965183e+01 1.695965183e+01 2.00 1.511635293e+01 1.511635293e+01 2.02 1.340589581e+01 1.340589581e+01 2.04 1.181843006e+01 1.181843006e+01 2.06 1.034448389e+01 1.034448389e+01 2.08 8.975186325e+00 8.975186325e+00 2.10 7.702445129e+00 7.702445129e+00 2.12 6.518989253e+00 6.518989253e+00 2.14 5.418272914e+00 5.418272914e+00 2.16 4.394360025e+00 4.394360025e+00 2.18 3.441905035e+00 3.441905035e+00 2.20 2.556225236e+00 2.556225236e+00 2.22 1.733326674e+00 1.733326674e+00 2.24 9.697935024e-01 9.697935024e-01 2.26 2.625835812e-01 2.625835812e-01 2.28 -3.911726441e-01 -3.911726441e-01 2.30 -9.943222620e-01 -9.943222620e-01 2.32 -1.549791215e+00 -1.549791215e+00 2.34 -2.060645451e+00 -2.060645451e+00 2.36 -2.530105023e+00 -2.530105023e+00 2.38 -2.961497157e+00 -2.961497157e+00 2.40 -3.358146596e+00 -3.358146596e+00 2.42 -3.723238726e+00 -3.723238726e+00 2.44 -4.059690531e+00 -4.059690531e+00 2.46 -4.370055527e+00 -4.370055527e+00 2.48 -4.656476628e+00 -4.656476628e+00 2.50 -4.920699284e+00 -4.920699284e+00 2.52 -5.164137896e+00 -5.164137896e+00 2.54 -5.387968332e+00 -5.387968332e+00 2.56 -5.593214579e+00 -5.593214579e+00 2.58 -5.780814196e+00 -5.780814196e+00 2.60 -5.951661706e+00 -5.951661706e+00 2.62 -6.106629563e+00 -6.106629563e+00 2.64 -6.246573885e+00 -6.246573885e+00 2.66 -6.372323612e+00 -6.372323612e+00 2.68 -6.484661328e+00 -6.484661328e+00 2.70 -6.584307351e+00 -6.584307351e+00 2.72 -6.671921631e+00 -6.671921631e+00 2.74 -6.748215802e+00 -6.748215802e+00 2.76 -6.813564881e+00 -6.813564881e+00 2.78 -6.867750876e+00 -6.867750876e+00 2.80 -6.910933248e+00 -6.910933248e+00 2.82 -6.943649556e+00 -6.943649556e+00 2.84 -6.966682443e+00 -6.966682443e+00 2.86 -6.980750399e+00 -6.980750399e+00 2.88 -6.986457006e+00 -6.986457006e+00 2.90 -6.984321015e+00 -6.984321015e+00 2.92 -6.974813812e+00 -6.974813812e+00 2.94 -6.958286171e+00 -6.958286171e+00 2.96 -6.934995212e+00 -6.934995212e+00 2.98 -6.905304639e+00 -6.905304639e+00 3.00 -6.869309963e+00 -6.869309963e+00 3.02 -6.826947561e+00 -6.826947561e+00 3.04 -6.778165672e+00 -6.778165672e+00 3.06 -6.722920096e+00 -6.722920096e+00 3.08 -6.661170251e+00 -6.661170251e+00 3.10 -6.592877198e+00 -6.592877198e+00 3.12 -6.518021468e+00 -6.518021468e+00 3.14 -6.436633856e+00 -6.436633856e+00 3.16 -6.348834348e+00 -6.348834348e+00 3.18 -6.254860990e+00 -6.254860990e+00 3.20 -6.155074495e+00 -6.155074495e+00 3.22 -6.049934176e+00 -6.049934176e+00 3.24 -5.939959179e+00 -5.939959179e+00 3.26 -5.825693244e+00 -5.825693244e+00 3.28 -5.707687967e+00 -5.707687967e+00 3.30 -5.586503126e+00 -5.586503126e+00 3.32 -5.462714596e+00 -5.462714596e+00 3.34 -5.336916688e+00 -5.336916688e+00 3.36 -5.209713017e+00 -5.209713017e+00 3.38 -5.081694321e+00 -5.081694321e+00 3.40 -4.953409174e+00 -4.953409174e+00 3.42 -4.825334064e+00 -4.825334064e+00 3.44 -4.697846764e+00 -4.697846764e+00 3.46 -4.571209957e+00 -4.571209957e+00 3.48 -4.445563598e+00 -4.445563598e+00 3.50 -4.320928571e+00 -4.320928571e+00 3.52 -4.197217575e+00 -4.197217575e+00 3.54 -4.074253087e+00 -4.074253087e+00 3.56 -3.951789055e+00 -3.951789055e+00 3.58 -3.829535635e+00 -3.829535635e+00 3.60 -3.707185764e+00 -3.707185764e+00 3.62 -3.584443017e+00 -3.584443017e+00 3.64 -3.461051026e+00 -3.461051026e+00 3.66 -3.336822743e+00 -3.336822743e+00 3.68 -3.211668108e+00 -3.211668108e+00 3.70 -3.085616654e+00 -3.085616654e+00 3.72 -2.958832330e+00 -2.958832330e+00 3.74 -2.831615632e+00 -2.831615632e+00 3.76 -2.704393732e+00 -2.704393732e+00 3.78 -2.577700235e+00 -2.577700235e+00 3.80 -2.452148681e+00 -2.452148681e+00 3.82 -2.328403507e+00 -2.328403507e+00 3.84 -2.207152087e+00 -2.207152087e+00 3.86 -2.089077560e+00 -2.089077560e+00 3.88 -1.974834477e+00 -1.974834477e+00 3.90 -1.865021403e+00 -1.865021403e+00 3.92 -1.760158908e+00 -1.760158908e+00 3.94 -1.660669741e+00 -1.660669741e+00 3.96 -1.566864925e+00 -1.566864925e+00 3.98 -1.478936117e+00 -1.478936117e+00 4.00 -1.396955879e+00 -1.396955879e+00 4.02 -1.320885439e+00 -1.320885439e+00 4.04 -1.250585856e+00 -1.250585856e+00 4.06 -1.185839204e+00 -1.185839204e+00 4.08 -1.126359930e+00 -1.126359930e+00 4.10 -1.071818325e+00 -1.071818325e+00 4.12 -1.021856402e+00 -1.021856402e+00 4.14 -9.761030887e-01 -9.761030887e-01 4.16 -9.341868413e-01 -9.341868413e-01 4.18 -8.957455330e-01 -8.957455330e-01 4.20 -8.604337826e-01 -8.604337826e-01 4.22 -8.279277915e-01 -8.279277915e-01 4.24 -7.979258343e-01 -7.979258343e-01 4.26 -7.701556551e-01 -7.701556551e-01 4.28 -7.443725007e-01 -7.443725007e-01 4.30 -7.203560162e-01 -7.203560162e-01 4.32 -6.979096047e-01 -6.979096047e-01 4.34 -6.768590014e-01 -6.768590014e-01 4.36 -6.570504999e-01 -6.570504999e-01 4.38 -6.383491512e-01 -6.383491512e-01 4.40 -6.206368923e-01 -6.206368923e-01 4.42 -6.038106077e-01 -6.038106077e-01 4.44 -5.877803998e-01 -5.877803998e-01 4.46 -5.724680254e-01 -5.724680254e-01 4.48 -5.578053669e-01 -5.578053669e-01 4.50 -5.437331001e-01 -5.437331001e-01 4.52 -5.301995545e-01 -5.301995545e-01 4.54 -5.171596576e-01 -5.171596576e-01 4.56 -5.045739975e-01 -5.045739975e-01 4.58 -4.924080389e-01 -4.924080389e-01 4.60 -4.806314341e-01 -4.806314341e-01 4.62 -4.692173911e-01 -4.692173911e-01 4.64 -4.581421469e-01 -4.581421469e-01 4.66 -4.473845179e-01 -4.473845179e-01 4.68 -4.369254809e-01 -4.369254809e-01 4.70 -4.267478159e-01 -4.267478159e-01 4.72 -4.168353309e-01 -4.168353309e-01 4.74 -4.071745293e-01 -4.071745293e-01 4.76 -3.977512807e-01 -3.977512807e-01 4.78 -3.885527531e-01 -3.885527531e-01 4.80 -3.795666280e-01 -3.795666280e-01 4.82 -3.707809008e-01 -3.707809008e-01 4.84 -3.621836921e-01 -3.621836921e-01 4.86 -3.537630799e-01 -3.537630799e-01 4.88 -3.455069284e-01 -3.455069284e-01 4.90 -3.374027422e-01 -3.374027422e-01 4.92 -3.294375298e-01 -3.294375298e-01 4.94 -3.215977045e-01 -3.215977045e-01 4.96 -3.138690112e-01 -3.138690112e-01 4.98 -3.062365203e-01 -3.062365203e-01 5.00 -2.986846852e-01 -2.986846852e-01 5.02 -2.911975191e-01 -2.911975191e-01 5.04 -2.837589014e-01 -2.837589014e-01 5.06 -2.763530509e-01 -2.763530509e-01 5.08 -2.689652072e-01 -2.689652072e-01 5.10 -2.615824995e-01 -2.615824995e-01 5.12 -2.541950594e-01 -2.541950594e-01 5.14 -2.467972307e-01 -2.467972307e-01 5.16 -2.393889091e-01 -2.393889091e-01 5.18 -2.319766878e-01 -2.319766878e-01 5.20 -2.245747947e-01 -2.245747947e-01 5.22 -2.172053747e-01 -2.172053747e-01 5.24 -2.098966676e-01 -2.098966676e-01 5.26 -2.026833124e-01 -2.026833124e-01 5.28 -1.956062874e-01 -1.956062874e-01 5.30 -1.887078224e-01 -1.887078224e-01 5.32 -1.820281352e-01 -1.820281352e-01 5.34 -1.756024134e-01 -1.756024134e-01 5.36 -1.694582937e-01 -1.694582937e-01 5.38 -1.636143879e-01 -1.636143879e-01 5.40 -1.580797098e-01 -1.580797098e-01 5.42 -1.528541762e-01 -1.528541762e-01 5.44 -1.479297392e-01 -1.479297392e-01 5.46 -1.432920215e-01 -1.432920215e-01 5.48 -1.389220486e-01 -1.389220486e-01 5.50 -1.347979209e-01 -1.347979209e-01 5.52 -1.308962435e-01 -1.308962435e-01 5.54 -1.271932423e-01 -1.271932423e-01 5.56 -1.236655801e-01 -1.236655801e-01 5.58 -1.202908596e-01 -1.202908596e-01 5.60 -1.170479092e-01 -1.170479092e-01 5.62 -1.139168639e-01 -1.139168639e-01 5.64 -1.108791374e-01 -1.108791374e-01 5.66 -1.079172838e-01 -1.079172838e-01 5.68 -1.050148385e-01 -1.050148385e-01 5.70 -1.021561237e-01 -1.021561237e-01 5.72 -9.932607461e-02 -9.932607461e-02 5.74 -9.651008088e-02 -9.651008088e-02 5.76 -9.369388781e-02 -9.369388781e-02 5.78 -9.086354519e-02 -9.086354519e-02 5.80 -8.800543827e-02 -8.800543827e-02 5.82 -8.510640588e-02 -8.510640588e-02 5.84 -8.215396577e-02 -8.215396577e-02 5.86 -7.913665548e-02 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