# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuPd2 # 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 2026-08-31 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 3.323861484e+06 3.323861484e+06 0.88 3.034908646e+06 3.034908646e+06 0.90 2.771284451e+06 2.771284451e+06 0.92 2.530304310e+06 2.530304310e+06 0.94 2.309621316e+06 2.309621316e+06 0.96 2.107147022e+06 2.107147022e+06 0.98 1.921050060e+06 1.921050060e+06 1.00 1.749722901e+06 1.749722901e+06 1.02 1.591760011e+06 1.591760011e+06 1.04 1.445889053e+06 1.445889053e+06 1.06 1.310983520e+06 1.310983520e+06 1.08 1.186048107e+06 1.186048107e+06 1.10 1.070176378e+06 1.070176378e+06 1.12 9.625873094e+05 9.625873094e+05 1.14 8.625868722e+05 8.625868722e+05 1.16 7.695284130e+05 7.695284130e+05 1.18 6.828304989e+05 6.828304989e+05 1.20 6.019849967e+05 6.019849967e+05 1.22 5.265132973e+05 5.265132973e+05 1.24 4.559601441e+05 4.559601441e+05 1.26 3.899493654e+05 3.899493654e+05 1.28 3.281418875e+05 3.281418875e+05 1.30 2.709713760e+05 2.709713760e+05 1.32 2.187406413e+05 2.187406413e+05 1.34 1.751335119e+05 1.751335119e+05 1.36 1.404324681e+05 1.404324681e+05 1.38 1.127696981e+05 1.127696981e+05 1.40 9.067983230e+04 9.067983230e+04 1.42 7.301279744e+04 7.301279744e+04 1.44 5.885861934e+04 5.885861934e+04 1.46 4.750005818e+04 4.750005818e+04 1.48 3.837203953e+04 3.837203953e+04 1.50 3.102710552e+04 3.102710552e+04 1.52 2.511030253e+04 2.511030253e+04 1.54 2.033889427e+04 2.033889427e+04 1.56 1.648687484e+04 1.648687484e+04 1.58 1.337330422e+04 1.337330422e+04 1.60 1.085296592e+04 1.085296592e+04 1.62 8.811307015e+03 8.811307015e+03 1.64 7.156384436e+03 7.156384436e+03 1.66 5.814037772e+03 5.814037772e+03 1.68 4.724623787e+03 4.724623787e+03 1.70 3.840087055e+03 3.840087055e+03 1.72 3.121628614e+03 3.121628614e+03 1.74 2.537854736e+03 2.537854736e+03 1.76 2.063334184e+03 2.063334184e+03 1.78 1.677486547e+03 1.677486547e+03 1.80 1.363595749e+03 1.363595749e+03 1.82 1.108079630e+03 1.108079630e+03 1.84 9.000854602e+02 9.000854602e+02 1.86 7.307933231e+02 7.307933231e+02 1.88 5.930224758e+02 5.930224758e+02 1.90 4.809234766e+02 4.809234766e+02 1.92 3.897295755e+02 3.897295755e+02 1.94 3.155557302e+02 3.155557302e+02 1.96 2.552204466e+02 2.552204466e+02 1.98 2.061608751e+02 2.061608751e+02 2.00 1.662878845e+02 1.662878845e+02 2.02 1.338890980e+02 1.338890980e+02 2.04 1.075770905e+02 1.075770905e+02 2.06 8.622251199e+01 8.622251199e+01 2.08 6.890332307e+01 6.890332307e+01 2.10 5.486666904e+01 5.486666904e+01 2.12 4.349881589e+01 4.349881589e+01 2.14 3.429843736e+01 3.429843736e+01 2.16 2.685347205e+01 2.685347205e+01 2.18 2.083388305e+01 2.083388305e+01 2.20 1.597131776e+01 1.597131776e+01 2.22 1.204703469e+01 1.204703469e+01 2.24 8.883476601e+00 8.883476601e+00 2.26 6.336042611e+00 6.336042611e+00 2.28 4.287097159e+00 4.287097159e+00 2.30 2.641042055e+00 2.641042055e+00 2.32 1.320278179e+00 1.320278179e+00 2.34 2.619092087e-01 2.619092087e-01 2.36 -5.849730570e-01 -5.849730570e-01 2.38 -1.261527611e+00 -1.261527611e+00 2.40 -1.800975850e+00 -1.800975850e+00 2.42 -2.230090553e+00 -2.230090553e+00 2.44 -2.570413450e+00 -2.570413450e+00 2.46 -2.839260155e+00 -2.839260155e+00 2.48 -3.050511703e+00 -3.050511703e+00 2.50 -3.215270130e+00 -3.215270130e+00 2.52 -3.342421864e+00 -3.342421864e+00 2.54 -3.439043068e+00 -3.439043068e+00 2.56 -3.510786306e+00 -3.510786306e+00 2.58 -3.562167311e+00 -3.562167311e+00 2.60 -3.596793306e+00 -3.596793306e+00 2.62 -3.617508541e+00 -3.617508541e+00 2.64 -3.626573457e+00 -3.626573457e+00 2.66 -3.625836048e+00 -3.625836048e+00 2.68 -3.616784435e+00 -3.616784435e+00 2.70 -3.600597514e+00 -3.600597514e+00 2.72 -3.578230815e+00 -3.578230815e+00 2.74 -3.550491346e+00 -3.550491346e+00 2.76 -3.518050479e+00 -3.518050479e+00 2.78 -3.481474009e+00 -3.481474009e+00 2.80 -3.441245534e+00 -3.441245534e+00 2.82 -3.397706958e+00 -3.397706958e+00 2.84 -3.351152504e+00 -3.351152504e+00 2.86 -3.301903231e+00 -3.301903231e+00 2.88 -3.250257905e+00 -3.250257905e+00 2.90 -3.196489885e+00 -3.196489885e+00 2.92 -3.140851800e+00 -3.140851800e+00 2.94 -3.083579065e+00 -3.083579065e+00 2.96 -3.024873547e+00 -3.024873547e+00 2.98 -2.964893511e+00 -2.964893511e+00 3.00 -2.903832756e+00 -2.903832756e+00 3.02 -2.841877640e+00 -2.841877640e+00 3.04 -2.779205193e+00 -2.779205193e+00 3.06 -2.715976797e+00 -2.715976797e+00 3.08 -2.652313769e+00 -2.652313769e+00 3.10 -2.588360223e+00 -2.588360223e+00 3.12 -2.524257901e+00 -2.524257901e+00 3.14 -2.460140561e+00 -2.460140561e+00 3.16 -2.396134098e+00 -2.396134098e+00 3.18 -2.332356658e+00 -2.332356658e+00 3.20 -2.268918756e+00 -2.268918756e+00 3.22 -2.205923406e+00 -2.205923406e+00 3.24 -2.143466257e+00 -2.143466257e+00 3.26 -2.081635759e+00 -2.081635759e+00 3.28 -2.020513330e+00 -2.020513330e+00 3.30 -1.960133457e+00 -1.960133457e+00 3.32 -1.900503714e+00 -1.900503714e+00 3.34 -1.841687442e+00 -1.841687442e+00 3.36 -1.783742626e+00 -1.783742626e+00 3.38 -1.726721433e+00 -1.726721433e+00 3.40 -1.670670445e+00 -1.670670445e+00 3.42 -1.615630909e+00 -1.615630909e+00 3.44 -1.561638988e+00 -1.561638988e+00 3.46 -1.508724084e+00 -1.508724084e+00 3.48 -1.456884493e+00 -1.456884493e+00 3.50 -1.406133294e+00 -1.406133294e+00 3.52 -1.356489075e+00 -1.356489075e+00 3.54 -1.307966713e+00 -1.307966713e+00 3.56 -1.260577611e+00 -1.260577611e+00 3.58 -1.214329932e+00 -1.214329932e+00 3.60 -1.169228825e+00 -1.169228825e+00 3.62 -1.125276647e+00 -1.125276647e+00 3.64 -1.082473170e+00 -1.082473170e+00 3.66 -1.040815785e+00 -1.040815785e+00 3.68 -1.000299699e+00 -1.000299699e+00 3.70 -9.609181183e-01 -9.609181183e-01 3.72 -9.226624274e-01 -9.226624274e-01 3.74 -8.855223550e-01 -8.855223550e-01 3.76 -8.494861354e-01 -8.494861354e-01 3.78 -8.145406584e-01 -8.145406584e-01 3.80 -7.806716114e-01 -7.806716114e-01 3.82 -7.478636138e-01 -7.478636138e-01 3.84 -7.161003417e-01 -7.161003417e-01 3.86 -6.853646465e-01 -6.853646465e-01 3.88 -6.556386639e-01 -6.556386639e-01 3.90 -6.269039172e-01 -6.269039172e-01 3.92 -5.991414122e-01 -5.991414122e-01 3.94 -5.723317259e-01 -5.723317259e-01 3.96 -5.464550886e-01 -5.464550886e-01 3.98 -5.214914597e-01 -5.214914597e-01 4.00 -4.974205973e-01 -4.974205973e-01 4.02 -4.742221227e-01 -4.742221227e-01 4.04 -4.518755796e-01 -4.518755796e-01 4.06 -4.303604871e-01 -4.303604871e-01 4.08 -4.096563899e-01 -4.096563899e-01 4.10 -3.897429023e-01 -3.897429023e-01 4.12 -3.705997490e-01 -3.705997490e-01 4.14 -3.522068016e-01 -3.522068016e-01 4.16 -3.345441113e-01 -3.345441113e-01 4.18 -3.175919388e-01 -3.175919388e-01 4.20 -3.013307803e-01 -3.013307803e-01 4.22 -2.857413905e-01 -2.857413905e-01 4.24 -2.708048035e-01 -2.708048035e-01 4.26 -2.565023505e-01 -2.565023505e-01 4.28 -2.428156756e-01 -2.428156756e-01 4.30 -2.297267485e-01 -2.297267485e-01 4.32 -2.172160164e-01 -2.172160164e-01 4.34 -2.052454132e-01 -2.052454132e-01 4.36 -1.937928999e-01 -1.937928999e-01 4.38 -1.828427432e-01 -1.828427432e-01 4.40 -1.723795602e-01 -1.723795602e-01 4.42 -1.623883208e-01 -1.623883208e-01 4.44 -1.528543493e-01 -1.528543493e-01 4.46 -1.437633241e-01 -1.437633241e-01 4.48 -1.351012775e-01 -1.351012775e-01 4.50 -1.268545946e-01 -1.268545946e-01 4.52 -1.190100105e-01 -1.190100105e-01 4.54 -1.115546082e-01 -1.115546082e-01 4.56 -1.044758152e-01 -1.044758152e-01 4.58 -9.776139939e-02 -9.776139939e-02 4.60 -9.139946513e-02 -9.139946513e-02 4.62 -8.537844844e-02 -8.537844844e-02 4.64 -7.968711206e-02 -7.968711206e-02 4.66 -7.430041964e-02 -7.430041964e-02 4.68 -6.918842678e-02 -6.918842678e-02 4.70 -6.434205026e-02 -6.434205026e-02 4.72 -5.975261791e-02 -5.975261791e-02 4.74 -5.541170702e-02 -5.541170702e-02 4.76 -5.131113958e-02 -5.131113958e-02 4.78 -4.744297745e-02 -4.744297745e-02 4.80 -4.379951751e-02 -4.379951751e-02 4.82 -4.037328701e-02 -4.037328701e-02 4.84 -3.715703863e-02 -3.715703863e-02 4.86 -3.414374280e-02 -3.414374280e-02 4.88 -3.132658469e-02 -3.132658469e-02 4.90 -2.869446081e-02 -2.869446081e-02 4.92 -2.623134268e-02 -2.623134268e-02 4.94 -2.393118203e-02 -2.393118203e-02 4.96 -2.178840640e-02 -2.178840640e-02 4.98 -1.979733531e-02 -1.979733531e-02 5.00 -1.794099953e-02 -1.794099953e-02 5.02 -1.620317920e-02 -1.620317920e-02 5.04 -1.457998317e-02 -1.457998317e-02 5.06 -1.306759416e-02 -1.306759416e-02 5.08 -1.166227784e-02 -1.166227784e-02 5.10 -1.036038997e-02 -1.036038997e-02 5.12 -9.158381700e-03 -9.158381700e-03 5.14 -8.052803283e-03 -8.052803283e-03 5.16 -7.040306453e-03 -7.040306453e-03 5.18 -6.117645715e-03 -6.117645715e-03 5.20 -5.281678697e-03 -5.281678697e-03 5.22 -4.529365741e-03 -4.529365741e-03 5.24 -3.857768856e-03 -3.857768856e-03 5.26 -3.264050173e-03 -3.264050173e-03 5.28 -2.745469988e-03 -2.745469988e-03 5.30 -2.299384481e-03 -2.299384481e-03 5.32 -1.923243195e-03 -1.923243195e-03 5.34 -1.614586328e-03 -1.614586328e-03 5.36 -1.371041621e-03 -1.371041621e-03 5.38 -1.168582592e-03 -1.168582592e-03 5.40 -9.843258528e-04 -9.843258528e-04 5.42 -8.176946545e-04 -8.176946545e-04 5.44 -6.681299076e-04 -6.681299076e-04 5.46 -5.350899714e-04 -5.350899714e-04 5.48 -4.180501717e-04 -4.180501717e-04 5.50 -3.165023209e-04 -3.165023209e-04 5.52 -2.299542432e-04 -2.299542432e-04 5.54 -1.579293055e-04 -1.579293055e-04 5.56 -9.996595510e-05 -9.996595510e-05 5.58 -5.561726585e-05 -5.561726585e-05 5.60 -2.445049194e-05 -2.445049194e-05 5.62 -6.046631599e-06 -6.046631599e-06 5.64 1.559016533e-11 1.559016533e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00