# 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 = AgPd2Pt # 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 3.271656100e+02 3.271656100e+02 1.30 3.040096197e+02 3.040096197e+02 1.32 2.824656804e+02 2.824656804e+02 1.34 2.624122044e+02 2.624122044e+02 1.36 2.437386373e+02 2.437386373e+02 1.38 2.263418258e+02 2.263418258e+02 1.40 2.101255121e+02 2.101255121e+02 1.42 1.950017439e+02 1.950017439e+02 1.44 1.808913409e+02 1.808913409e+02 1.46 1.677226824e+02 1.677226824e+02 1.48 1.554298817e+02 1.554298817e+02 1.50 1.439511583e+02 1.439511583e+02 1.52 1.332276200e+02 1.332276200e+02 1.54 1.232027644e+02 1.232027644e+02 1.56 1.138230277e+02 1.138230277e+02 1.58 1.050390088e+02 1.050390088e+02 1.60 9.680639335e+01 9.680639335e+01 1.62 8.908588015e+01 8.908588015e+01 1.64 8.184227240e+01 8.184227240e+01 1.66 7.504352259e+01 7.504352259e+01 1.68 6.866035694e+01 6.866035694e+01 1.70 6.268566045e+01 6.268566045e+01 1.72 5.717100112e+01 5.717100112e+01 1.74 5.209253350e+01 5.209253350e+01 1.76 4.741657873e+01 4.741657873e+01 1.78 4.311081790e+01 4.311081790e+01 1.80 3.914459541e+01 3.914459541e+01 1.82 3.548957704e+01 3.548957704e+01 1.84 3.212020913e+01 3.212020913e+01 1.86 2.901374728e+01 2.901374728e+01 1.88 2.614995196e+01 2.614995196e+01 1.90 2.351066355e+01 2.351066355e+01 1.92 2.107940607e+01 2.107940607e+01 1.94 1.884106076e+01 1.884106076e+01 1.96 1.678160100e+01 1.678160100e+01 1.98 1.488789330e+01 1.488789330e+01 2.00 1.314758038e+01 1.314758038e+01 2.02 1.154903974e+01 1.154903974e+01 2.04 1.008138406e+01 1.008138406e+01 2.06 8.734467134e+00 8.734467134e+00 2.08 7.498873990e+00 7.498873990e+00 2.10 6.365891755e+00 6.365891755e+00 2.12 5.327468968e+00 5.327468968e+00 2.14 4.376176206e+00 4.376176206e+00 2.16 3.505177427e+00 3.505177427e+00 2.18 2.708212421e+00 2.708212421e+00 2.20 1.979582677e+00 1.979582677e+00 2.22 1.314131414e+00 1.314131414e+00 2.24 7.072125546e-01 7.072125546e-01 2.26 1.546483267e-01 1.546483267e-01 2.28 -3.473221401e-01 -3.473221401e-01 2.30 -8.021005208e-01 -8.021005208e-01 2.32 -1.212790904e+00 -1.212790904e+00 2.34 -1.582262423e+00 -1.582262423e+00 2.36 -1.913209027e+00 -1.913209027e+00 2.38 -2.208201692e+00 -2.208201692e+00 2.40 -2.469729161e+00 -2.469729161e+00 2.42 -2.700726818e+00 -2.700726818e+00 2.44 -2.904709328e+00 -2.904709328e+00 2.46 -3.083670404e+00 -3.083670404e+00 2.48 -3.239552074e+00 -3.239552074e+00 2.50 -3.374314217e+00 -3.374314217e+00 2.52 -3.489909716e+00 -3.489909716e+00 2.54 -3.588245395e+00 -3.588245395e+00 2.56 -3.671131001e+00 -3.671131001e+00 2.58 -3.740225932e+00 -3.740225932e+00 2.60 -3.796996823e+00 -3.796996823e+00 2.62 -3.842696027e+00 -3.842696027e+00 2.64 -3.878363575e+00 -3.878363575e+00 2.66 -3.904847918e+00 -3.904847918e+00 2.68 -3.923154578e+00 -3.923154578e+00 2.70 -3.934205628e+00 -3.934205628e+00 2.72 -3.938150693e+00 -3.938150693e+00 2.74 -3.935138458e+00 -3.935138458e+00 2.76 -3.925334677e+00 -3.925334677e+00 2.78 -3.908924888e+00 -3.908924888e+00 2.80 -3.886117898e+00 -3.886117898e+00 2.82 -3.857151195e+00 -3.857151195e+00 2.84 -3.822299621e+00 -3.822299621e+00 2.86 -3.781917193e+00 -3.781917193e+00 2.88 -3.736463299e+00 -3.736463299e+00 2.90 -3.686452758e+00 -3.686452758e+00 2.92 -3.632510840e+00 -3.632510840e+00 2.94 -3.575279515e+00 -3.575279515e+00 2.96 -3.515332128e+00 -3.515332128e+00 2.98 -3.453264186e+00 -3.453264186e+00 3.00 -3.389659959e+00 -3.389659959e+00 3.02 -3.325058410e+00 -3.325058410e+00 3.04 -3.259925454e+00 -3.259925454e+00 3.06 -3.194637038e+00 -3.194637038e+00 3.08 -3.129474582e+00 -3.129474582e+00 3.10 -3.064633624e+00 -3.064633624e+00 3.12 -3.000239636e+00 -3.000239636e+00 3.14 -2.936359241e+00 -2.936359241e+00 3.16 -2.873016496e+00 -2.873016496e+00 3.18 -2.810215577e+00 -2.810215577e+00 3.20 -2.748000690e+00 -2.748000690e+00 3.22 -2.686417859e+00 -2.686417859e+00 3.24 -2.625492768e+00 -2.625492768e+00 3.26 -2.565240333e+00 -2.565240333e+00 3.28 -2.505671430e+00 -2.505671430e+00 3.30 -2.446797335e+00 -2.446797335e+00 3.32 -2.388632482e+00 -2.388632482e+00 3.34 -2.331195956e+00 -2.331195956e+00 3.36 -2.274511998e+00 -2.274511998e+00 3.38 -2.218609718e+00 -2.218609718e+00 3.40 -2.163522213e+00 -2.163522213e+00 3.42 -2.109285238e+00 -2.109285238e+00 3.44 -2.055935626e+00 -2.055935626e+00 3.46 -2.003509607e+00 -2.003509607e+00 3.48 -1.952041179e+00 -1.952041179e+00 3.50 -1.901560626e+00 -1.901560626e+00 3.52 -1.852093260e+00 -1.852093260e+00 3.54 -1.803658411e+00 -1.803658411e+00 3.56 -1.756268675e+00 -1.756268675e+00 3.58 -1.709929394e+00 -1.709929394e+00 3.60 -1.664638367e+00 -1.664638367e+00 3.62 -1.620385760e+00 -1.620385760e+00 3.64 -1.577154210e+00 -1.577154210e+00 3.66 -1.534919123e+00 -1.534919123e+00 3.68 -1.493649170e+00 -1.493649170e+00 3.70 -1.453306980e+00 -1.453306980e+00 3.72 -1.413850034e+00 -1.413850034e+00 3.74 -1.375231732e+00 -1.375231732e+00 3.76 -1.337402612e+00 -1.337402612e+00 3.78 -1.300311653e+00 -1.300311653e+00 3.80 -1.263907595e+00 -1.263907595e+00 3.82 -1.228140215e+00 -1.228140215e+00 3.84 -1.192961470e+00 -1.192961470e+00 3.86 -1.158326467e+00 -1.158326467e+00 3.88 -1.124194254e+00 -1.124194254e+00 3.90 -1.090528429e+00 -1.090528429e+00 3.92 -1.057297636e+00 -1.057297636e+00 3.94 -1.024476024e+00 -1.024476024e+00 3.96 -9.920437191e-01 -9.920437191e-01 3.98 -9.599874187e-01 -9.599874187e-01 4.00 -9.283010992e-01 -9.283010992e-01 4.02 -8.969868293e-01 -8.969868293e-01 4.04 -8.660556022e-01 -8.660556022e-01 4.06 -8.355280450e-01 -8.355280450e-01 4.08 -8.054348228e-01 -8.054348228e-01 4.10 -7.758165356e-01 -7.758165356e-01 4.12 -7.467229592e-01 -7.467229592e-01 4.14 -7.182114536e-01 -7.182114536e-01 4.16 -6.903446098e-01 -6.903446098e-01 4.18 -6.631871682e-01 -6.631871682e-01 4.20 -6.368024502e-01 -6.368024502e-01 4.22 -6.112486066e-01 -6.112486066e-01 4.24 -5.865750368e-01 -5.865750368e-01 4.26 -5.628193307e-01 -5.628193307e-01 4.28 -5.400050196e-01 -5.400050196e-01 4.30 -5.181403177e-01 -5.181403177e-01 4.32 -4.972179044e-01 -4.972179044e-01 4.34 -4.772156720e-01 -4.772156720e-01 4.36 -4.580982584e-01 -4.580982584e-01 4.38 -4.398191307e-01 -4.398191307e-01 4.40 -4.223229674e-01 -4.223229674e-01 4.42 -4.055481154e-01 -4.055481154e-01 4.44 -3.894289459e-01 -3.894289459e-01 4.46 -3.738979954e-01 -3.738979954e-01 4.48 -3.588878343e-01 -3.588878343e-01 4.50 -3.443326553e-01 -3.443326553e-01 4.52 -3.301696073e-01 -3.301696073e-01 4.54 -3.163399190e-01 -3.163399190e-01 4.56 -3.027898662e-01 -3.027898662e-01 4.58 -2.894716281e-01 -2.894716281e-01 4.60 -2.763440710e-01 -2.763440710e-01 4.62 -2.633734758e-01 -2.633734758e-01 4.64 -2.505342062e-01 -2.505342062e-01 4.66 -2.378092916e-01 -2.378092916e-01 4.68 -2.251908805e-01 -2.251908805e-01 4.70 -2.126805037e-01 -2.126805037e-01 4.72 -2.002890799e-01 -2.002890799e-01 4.74 -1.880366013e-01 -1.880366013e-01 4.76 -1.759514488e-01 -1.759514488e-01 4.78 -1.640693134e-01 -1.640693134e-01 4.80 -1.524317341e-01 -1.524317341e-01 4.82 -1.410843081e-01 -1.410843081e-01 4.84 -1.300746431e-01 -1.300746431e-01 4.86 -1.194501996e-01 -1.194501996e-01 4.88 -1.092561427e-01 -1.092561427e-01 4.90 -9.953335905e-02 -9.953335905e-02 4.92 -9.031676902e-02 -9.031676902e-02 4.94 -8.163403494e-02 -8.163403494e-02 4.96 -7.350474137e-02 -7.350474137e-02 4.98 -6.594004290e-02 -6.594004290e-02 5.00 -5.894275351e-02 -5.894275351e-02 5.02 -5.250782697e-02 -5.250782697e-02 5.04 -4.662339984e-02 -4.662339984e-02 5.06 -4.127137662e-02 -4.127137662e-02 5.08 -3.642817680e-02 -3.642817680e-02 5.10 -3.206648144e-02 -3.206648144e-02 5.12 -2.815627296e-02 -2.815627296e-02 5.14 -2.466580405e-02 -2.466580405e-02 5.16 -2.156248796e-02 -2.156248796e-02 5.18 -1.881364972e-02 -1.881364972e-02 5.20 -1.638716371e-02 -1.638716371e-02 5.22 -1.425197545e-02 -1.425197545e-02 5.24 -1.237837431e-02 -1.237837431e-02 5.26 -1.073846642e-02 -1.073846642e-02 5.28 -9.306537023e-03 -9.306537023e-03 5.30 -8.058850875e-03 -8.058850875e-03 5.32 -6.973710633e-03 -6.973710633e-03 5.34 -6.031450903e-03 -6.031450903e-03 5.36 -5.214380814e-03 -5.214380814e-03 5.38 -4.506689610e-03 -4.506689610e-03 5.40 -3.894327521e-03 -3.894327521e-03 5.42 -3.364871913e-03 -3.364871913e-03 5.44 -2.907386607e-03 -2.907386607e-03 5.46 -2.512280387e-03 -2.512280387e-03 5.48 -2.171169102e-03 -2.171169102e-03 5.50 -1.876744405e-03 -1.876744405e-03 5.52 -1.622651093e-03 -1.622651093e-03 5.54 -1.403374163e-03 -1.403374163e-03 5.56 -1.214136045e-03 -1.214136045e-03 5.58 -1.050804024e-03 -1.050804024e-03 5.60 -9.098075040e-04 -9.098075040e-04 5.62 -7.880645870e-04 -7.880645870e-04 5.64 -6.829172859e-04 -6.829172859e-04 5.66 -5.920746286e-04 -5.920746286e-04 5.68 -5.135628994e-04 -5.135628994e-04 5.70 -4.456822698e-04 -4.456822698e-04 5.72 -3.869691062e-04 -3.869691062e-04 5.74 -3.361632925e-04 -3.361632925e-04 5.76 -2.921799554e-04 -2.921799554e-04 5.78 -2.540850415e-04 -2.540850415e-04 5.80 -2.210742503e-04 -2.210742503e-04 5.82 -1.924548823e-04 -1.924548823e-04 5.84 -1.676302129e-04 -1.676302129e-04 5.86 -1.460860506e-04 -1.460860506e-04 5.88 -1.273791797e-04 -1.273791797e-04 5.90 -1.111274282e-04 -1.111274282e-04 5.92 -9.700113383e-05 -9.700113383e-05 5.94 -8.471581334e-05 -8.471581334e-05 5.96 -7.402586525e-05 -7.402586525e-05 5.98 -6.471916071e-05 -6.471916071e-05 6.00 -5.661239667e-05 -5.661239667e-05