# 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 = Ag2CuPd # 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 2.217008747e+02 2.217008747e+02 1.30 2.049735422e+02 2.049735422e+02 1.32 1.895082171e+02 1.895082171e+02 1.34 1.752051082e+02 1.752051082e+02 1.36 1.619709770e+02 1.619709770e+02 1.38 1.497186539e+02 1.497186539e+02 1.40 1.383674303e+02 1.383674303e+02 1.42 1.278438202e+02 1.278438202e+02 1.44 1.180819115e+02 1.180819115e+02 1.46 1.090228546e+02 1.090228546e+02 1.48 1.006137319e+02 1.006137319e+02 1.50 9.280633322e+01 9.280633322e+01 1.52 8.555615941e+01 8.555615941e+01 1.54 7.882172903e+01 7.882172903e+01 1.56 7.256417226e+01 7.256417226e+01 1.58 6.674711724e+01 6.674711724e+01 1.60 6.133687171e+01 6.133687171e+01 1.62 5.631483855e+01 5.631483855e+01 1.64 5.166339849e+01 5.166339849e+01 1.66 4.735564383e+01 4.735564383e+01 1.68 4.336723651e+01 4.336723651e+01 1.70 3.967593424e+01 3.967593424e+01 1.72 3.626104791e+01 3.626104791e+01 1.74 3.310301485e+01 3.310301485e+01 1.76 3.018315191e+01 3.018315191e+01 1.78 2.748362326e+01 2.748362326e+01 1.80 2.498757698e+01 2.498757698e+01 1.82 2.267932393e+01 2.267932393e+01 1.84 2.054443490e+01 2.054443490e+01 1.86 1.856972137e+01 1.856972137e+01 1.88 1.674314583e+01 1.674314583e+01 1.90 1.505371622e+01 1.505371622e+01 1.92 1.349138744e+01 1.349138744e+01 1.94 1.204697240e+01 1.204697240e+01 1.96 1.071206141e+01 1.071206141e+01 1.98 9.478945291e+00 9.478945291e+00 2.00 8.340535579e+00 8.340535579e+00 2.02 7.290281822e+00 7.290281822e+00 2.04 6.322093639e+00 6.322093639e+00 2.06 5.430276162e+00 5.430276162e+00 2.08 4.609483078e+00 4.609483078e+00 2.10 3.854687452e+00 3.854687452e+00 2.12 3.161167447e+00 3.161167447e+00 2.14 2.524501237e+00 2.524501237e+00 2.16 1.940564506e+00 1.940564506e+00 2.18 1.405525693e+00 1.405525693e+00 2.20 9.158367512e-01 9.158367512e-01 2.22 4.682188283e-01 4.682188283e-01 2.24 5.964288525e-02 5.964288525e-02 2.26 -3.126941052e-01 -3.126941052e-01 2.28 -6.513955814e-01 -6.513955814e-01 2.30 -9.588909695e-01 -9.588909695e-01 2.32 -1.237455880e+00 -1.237455880e+00 2.34 -1.489223438e+00 -1.489223438e+00 2.36 -1.716187274e+00 -1.716187274e+00 2.38 -1.920201185e+00 -1.920201185e+00 2.40 -2.102982113e+00 -2.102982113e+00 2.42 -2.266120555e+00 -2.266120555e+00 2.44 -2.411097934e+00 -2.411097934e+00 2.46 -2.539306647e+00 -2.539306647e+00 2.48 -2.652066998e+00 -2.652066998e+00 2.50 -2.750636397e+00 -2.750636397e+00 2.52 -2.836211569e+00 -2.836211569e+00 2.54 -2.910207584e+00 -2.910207584e+00 2.56 -2.973752953e+00 -2.973752953e+00 2.58 -3.027867912e+00 -3.027867912e+00 2.60 -3.073145192e+00 -3.073145192e+00 2.62 -3.110058045e+00 -3.110058045e+00 2.64 -3.139094328e+00 -3.139094328e+00 2.66 -3.160747431e+00 -3.160747431e+00 2.68 -3.175506559e+00 -3.175506559e+00 2.70 -3.183874150e+00 -3.183874150e+00 2.72 -3.186358820e+00 -3.186358820e+00 2.74 -3.183603099e+00 -3.183603099e+00 2.76 -3.176059698e+00 -3.176059698e+00 2.78 -3.163941440e+00 -3.163941440e+00 2.80 -3.147459215e+00 -3.147459215e+00 2.82 -3.126822477e+00 -3.126822477e+00 2.84 -3.102243344e+00 -3.102243344e+00 2.86 -3.073942770e+00 -3.073942770e+00 2.88 -3.042156654e+00 -3.042156654e+00 2.90 -3.007141495e+00 -3.007141495e+00 2.92 -2.969185104e+00 -2.969185104e+00 2.94 -2.928593800e+00 -2.928593800e+00 2.96 -2.885679681e+00 -2.885679681e+00 2.98 -2.840753692e+00 -2.840753692e+00 3.00 -2.794119423e+00 -2.794119423e+00 3.02 -2.746068726e+00 -2.746068726e+00 3.04 -2.696879037e+00 -2.696879037e+00 3.06 -2.646811449e+00 -2.646811449e+00 3.08 -2.596108351e+00 -2.596108351e+00 3.10 -2.544990136e+00 -2.544990136e+00 3.12 -2.493651296e+00 -2.493651296e+00 3.14 -2.442256962e+00 -2.442256962e+00 3.16 -2.390941030e+00 -2.390941030e+00 3.18 -2.339806600e+00 -2.339806600e+00 3.20 -2.288928740e+00 -2.288928740e+00 3.22 -2.238359046e+00 -2.238359046e+00 3.24 -2.188131149e+00 -2.188131149e+00 3.26 -2.138266393e+00 -2.138266393e+00 3.28 -2.088779053e+00 -2.088779053e+00 3.30 -2.039680741e+00 -2.039680741e+00 3.32 -1.990983820e+00 -1.990983820e+00 3.34 -1.942703795e+00 -1.942703795e+00 3.36 -1.894860691e+00 -1.894860691e+00 3.38 -1.847479535e+00 -1.847479535e+00 3.40 -1.800590052e+00 -1.800590052e+00 3.42 -1.754225752e+00 -1.754225752e+00 3.44 -1.708422590e+00 -1.708422590e+00 3.46 -1.663217390e+00 -1.663217390e+00 3.48 -1.618646229e+00 -1.618646229e+00 3.50 -1.574742916e+00 -1.574742916e+00 3.52 -1.531537681e+00 -1.531537681e+00 3.54 -1.489056153e+00 -1.489056153e+00 3.56 -1.447318644e+00 -1.447318644e+00 3.58 -1.406339766e+00 -1.406339766e+00 3.60 -1.366128359e+00 -1.366128359e+00 3.62 -1.326687717e+00 -1.326687717e+00 3.64 -1.288016095e+00 -1.288016095e+00 3.66 -1.250107465e+00 -1.250107465e+00 3.68 -1.212952499e+00 -1.212952499e+00 3.70 -1.176539725e+00 -1.176539725e+00 3.72 -1.140856783e+00 -1.140856783e+00 3.74 -1.105891702e+00 -1.105891702e+00 3.76 -1.071634037e+00 -1.071634037e+00 3.78 -1.038075766e+00 -1.038075766e+00 3.80 -1.005211768e+00 -1.005211768e+00 3.82 -9.730398137e-01 -9.730398137e-01 3.84 -9.415600162e-01 -9.415600162e-01 3.86 -9.107738194e-01 -9.107738194e-01 3.88 -8.806826785e-01 -8.806826785e-01 3.90 -8.512866625e-01 -8.512866625e-01 3.92 -8.225832291e-01 -8.225832291e-01 3.94 -7.945663896e-01 -7.945663896e-01 3.96 -7.672263799e-01 -7.672263799e-01 3.98 -7.405498776e-01 -7.405498776e-01 4.00 -7.145206709e-01 -7.145206709e-01 4.02 -6.891206339e-01 -6.891206339e-01 4.04 -6.643308229e-01 -6.643308229e-01 4.06 -6.401325151e-01 -6.401325151e-01 4.08 -6.165080476e-01 -6.165080476e-01 4.10 -5.934413686e-01 -5.934413686e-01 4.12 -5.709182919e-01 -5.709182919e-01 4.14 -5.489264617e-01 -5.489264617e-01 4.16 -5.274551659e-01 -5.274551659e-01 4.18 -5.064950819e-01 -5.064950819e-01 4.20 -4.860380903e-01 -4.860380903e-01 4.22 -4.660772434e-01 -4.660772434e-01 4.24 -4.466069273e-01 -4.466069273e-01 4.26 -4.276231902e-01 -4.276231902e-01 4.28 -4.091241556e-01 -4.091241556e-01 4.30 -3.911104014e-01 -3.911104014e-01 4.32 -3.735851799e-01 -3.735851799e-01 4.34 -3.565543732e-01 -3.565543732e-01 4.36 -3.400261238e-01 -3.400261238e-01 4.38 -3.240101317e-01 -3.240101317e-01 4.40 -3.085166654e-01 -3.085166654e-01 4.42 -2.935553730e-01 -2.935553730e-01 4.44 -2.791340147e-01 -2.791340147e-01 4.46 -2.652572476e-01 -2.652572476e-01 4.48 -2.519255929e-01 -2.519255929e-01 4.50 -2.391346992e-01 -2.391346992e-01 4.52 -2.268749841e-01 -2.268749841e-01 4.54 -2.151316965e-01 -2.151316965e-01 4.56 -2.038853951e-01 -2.038853951e-01 4.58 -1.931127921e-01 -1.931127921e-01 4.60 -1.827878732e-01 -1.827878732e-01 4.62 -1.728831804e-01 -1.728831804e-01 4.64 -1.633711334e-01 -1.633711334e-01 4.66 -1.542252697e-01 -1.542252697e-01 4.68 -1.454213041e-01 -1.454213041e-01 4.70 -1.369379320e-01 -1.369379320e-01 4.72 -1.287573334e-01 -1.287573334e-01 4.74 -1.208653697e-01 -1.208653697e-01 4.76 -1.132514960e-01 -1.132514960e-01 4.78 -1.059084376e-01 -1.059084376e-01 4.80 -9.883170318e-02 -9.883170318e-02 4.82 -9.201902037e-02 -9.201902037e-02 4.84 -8.546975298e-02 -8.546975298e-02 4.86 -7.918438835e-02 -7.918438835e-02 4.88 -7.316411697e-02 -7.316411697e-02 4.90 -6.741052708e-02 -6.741052708e-02 4.92 -6.192539458e-02 -6.192539458e-02 4.94 -5.671050501e-02 -5.671050501e-02 4.96 -5.176713581e-02 -5.176713581e-02 4.98 -4.709697977e-02 -4.709697977e-02 5.00 -4.270141239e-02 -4.270141239e-02 5.02 -3.858101207e-02 -3.858101207e-02 5.04 -3.473532242e-02 -3.473532242e-02 5.06 -3.116258821e-02 -3.116258821e-02 5.08 -2.785950190e-02 -2.785950190e-02 5.10 -2.482100641e-02 -2.482100641e-02 5.12 -2.204018259e-02 -2.204018259e-02 5.14 -1.950823962e-02 -1.950823962e-02 5.16 -1.721462122e-02 -1.721462122e-02 5.18 -1.514721288e-02 -1.514721288e-02 5.20 -1.329253086e-02 -1.329253086e-02 5.22 -1.163610049e-02 -1.163610049e-02 5.24 -1.016318691e-02 -1.016318691e-02 5.26 -8.858775430e-03 -8.858775430e-03 5.28 -7.707897494e-03 -7.707897494e-03 5.30 -6.695927385e-03 -6.695927385e-03 5.32 -5.808821712e-03 -5.808821712e-03 5.34 -5.033299821e-03 -5.033299821e-03 5.36 -4.356968018e-03 -4.356968018e-03 5.38 -3.768393639e-03 -3.768393639e-03 5.40 -3.257136704e-03 -3.257136704e-03 5.42 -2.813747496e-03 -2.813747496e-03 5.44 -2.429738138e-03 -2.429738138e-03 5.46 -2.097535503e-03 -2.097535503e-03 5.48 -1.810421741e-03 -1.810421741e-03 5.50 -1.562467577e-03 -1.562467577e-03 5.52 -1.348462428e-03 -1.348462428e-03 5.54 -1.163844388e-03 -1.163844388e-03 5.56 -1.004632279e-03 -1.004632279e-03 5.58 -8.673612525e-04 -8.673612525e-04 5.60 -7.490228526e-04 -7.490228526e-04 5.62 -6.470100583e-04 -6.470100583e-04 5.64 -5.590674600e-04 -5.590674600e-04 5.66 -4.832465312e-04 -4.832465312e-04 5.68 -4.178657858e-04 -4.178657858e-04 5.70 -3.614755211e-04 -3.614755211e-04 5.72 -3.128267884e-04 -3.128267884e-04 5.74 -2.708442088e-04 -2.708442088e-04 5.76 -2.346022488e-04 -2.346022488e-04 5.78 -2.033045821e-04 -2.033045821e-04 5.80 -1.762661847e-04 -1.762661847e-04 5.82 -1.528978353e-04 -1.528978353e-04 5.84 -1.326927239e-04 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