# 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 = AgCoPd2 # 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 2.563982257e+02 2.563982257e+02 1.30 2.370985781e+02 2.370985781e+02 1.32 2.192405273e+02 2.192405273e+02 1.34 2.027087314e+02 2.027087314e+02 1.36 1.873976478e+02 1.873976478e+02 1.38 1.732098755e+02 1.732098755e+02 1.40 1.600554963e+02 1.600554963e+02 1.42 1.478520542e+02 1.478520542e+02 1.44 1.365248627e+02 1.365248627e+02 1.46 1.260071595e+02 1.260071595e+02 1.48 1.162392917e+02 1.162392917e+02 1.50 1.071668739e+02 1.071668739e+02 1.52 9.873897079e+01 9.873897079e+01 1.54 9.090723411e+01 9.090723411e+01 1.56 8.362592096e+01 8.362592096e+01 1.58 7.685222774e+01 7.685222774e+01 1.60 7.054661015e+01 7.054661015e+01 1.62 6.467305700e+01 6.467305700e+01 1.64 5.919929601e+01 5.919929601e+01 1.66 5.411914840e+01 5.411914840e+01 1.68 4.942476552e+01 4.942476552e+01 1.70 4.508835779e+01 4.508835779e+01 1.72 4.108377396e+01 4.108377396e+01 1.74 3.738620775e+01 3.738620775e+01 1.76 3.397221312e+01 3.397221312e+01 1.78 3.081993716e+01 3.081993716e+01 1.80 2.790934316e+01 2.790934316e+01 1.82 2.522226410e+01 2.522226410e+01 1.84 2.274224314e+01 2.274224314e+01 1.86 2.045422695e+01 2.045422695e+01 1.88 1.834423924e+01 1.834423924e+01 1.90 1.639915764e+01 1.639915764e+01 1.92 1.460665083e+01 1.460665083e+01 1.94 1.295523698e+01 1.295523698e+01 1.96 1.143436001e+01 1.143436001e+01 1.98 1.003439173e+01 1.003439173e+01 2.00 8.746537555e+00 8.746537555e+00 2.02 7.562692081e+00 7.562692081e+00 2.04 6.475307340e+00 6.475307340e+00 2.06 5.477307644e+00 5.477307644e+00 2.08 4.562049564e+00 4.562049564e+00 2.10 3.723309658e+00 3.723309658e+00 2.12 2.955283492e+00 2.955283492e+00 2.14 2.252585862e+00 2.252585862e+00 2.16 1.610247595e+00 1.610247595e+00 2.18 1.023707505e+00 1.023707505e+00 2.20 4.887987342e-01 4.887987342e-01 2.22 1.728307632e-03 1.728307632e-03 2.24 -4.409506885e-01 -4.409506885e-01 2.26 -8.423732844e-01 -8.423732844e-01 2.28 -1.205400994e+00 -1.205400994e+00 2.30 -1.532662188e+00 -1.532662188e+00 2.32 -1.826592673e+00 -1.826592673e+00 2.34 -2.089474534e+00 -2.089474534e+00 2.36 -2.323470809e+00 -2.323470809e+00 2.38 -2.530653352e+00 -2.530653352e+00 2.40 -2.713022112e+00 -2.713022112e+00 2.42 -2.872515924e+00 -2.872515924e+00 2.44 -3.011016431e+00 -3.011016431e+00 2.46 -3.130355481e+00 -3.130355481e+00 2.48 -3.232334103e+00 -3.232334103e+00 2.50 -3.318582418e+00 -3.318582418e+00 2.52 -3.390625761e+00 -3.390625761e+00 2.54 -3.449880722e+00 -3.449880722e+00 2.56 -3.497848310e+00 -3.497848310e+00 2.58 -3.536320875e+00 -3.536320875e+00 2.60 -3.565985401e+00 -3.565985401e+00 2.62 -3.587388677e+00 -3.587388677e+00 2.64 -3.600995096e+00 -3.600995096e+00 2.66 -3.607235627e+00 -3.607235627e+00 2.68 -3.606520359e+00 -3.606520359e+00 2.70 -3.599232155e+00 -3.599232155e+00 2.72 -3.585757632e+00 -3.585757632e+00 2.74 -3.566539549e+00 -3.566539549e+00 2.76 -3.541992663e+00 -3.541992663e+00 2.78 -3.512570298e+00 -3.512570298e+00 2.80 -3.478648869e+00 -3.478648869e+00 2.82 -3.440492002e+00 -3.440492002e+00 2.84 -3.398389029e+00 -3.398389029e+00 2.86 -3.352659286e+00 -3.352659286e+00 2.88 -3.303653663e+00 -3.303653663e+00 2.90 -3.251752291e+00 -3.251752291e+00 2.92 -3.197357357e+00 -3.197357357e+00 2.94 -3.140882245e+00 -3.140882245e+00 2.96 -3.082742116e+00 -3.082742116e+00 2.98 -3.023334025e+00 -3.023334025e+00 3.00 -2.963022109e+00 -2.963022109e+00 3.02 -2.902130739e+00 -2.902130739e+00 3.04 -2.840942137e+00 -2.840942137e+00 3.06 -2.779696945e+00 -2.779696945e+00 3.08 -2.718596022e+00 -2.718596022e+00 3.10 -2.657802546e+00 -2.657802546e+00 3.12 -2.597444406e+00 -2.597444406e+00 3.14 -2.537617375e+00 -2.537617375e+00 3.16 -2.478389387e+00 -2.478389387e+00 3.18 -2.419805797e+00 -2.419805797e+00 3.20 -2.361895131e+00 -2.361895131e+00 3.22 -2.304674674e+00 -2.304674674e+00 3.24 -2.248155406e+00 -2.248155406e+00 3.26 -2.192345974e+00 -2.192345974e+00 3.28 -2.137255601e+00 -2.137255601e+00 3.30 -2.082895992e+00 -2.082895992e+00 3.32 -2.029282357e+00 -2.029282357e+00 3.34 -1.976433695e+00 -1.976433695e+00 3.36 -1.924372504e+00 -1.924372504e+00 3.38 -1.873124060e+00 -1.873124060e+00 3.40 -1.822715409e+00 -1.822715409e+00 3.42 -1.773174202e+00 -1.773174202e+00 3.44 -1.724527480e+00 -1.724527480e+00 3.46 -1.676800530e+00 -1.676800530e+00 3.48 -1.630015840e+00 -1.630015840e+00 3.50 -1.584192245e+00 -1.584192245e+00 3.52 -1.539344234e+00 -1.539344234e+00 3.54 -1.495481466e+00 -1.495481466e+00 3.56 -1.452608449e+00 -1.452608449e+00 3.58 -1.410724395e+00 -1.410724395e+00 3.60 -1.369823213e+00 -1.369823213e+00 3.62 -1.329893658e+00 -1.329893658e+00 3.64 -1.290919605e+00 -1.290919605e+00 3.66 -1.252880452e+00 -1.252880452e+00 3.68 -1.215751654e+00 -1.215751654e+00 3.70 -1.179505350e+00 -1.179505350e+00 3.72 -1.144111091e+00 -1.144111091e+00 3.74 -1.109536617e+00 -1.109536617e+00 3.76 -1.075748661e+00 -1.075748661e+00 3.78 -1.042713728e+00 -1.042713728e+00 3.80 -1.010398826e+00 -1.010398826e+00 3.82 -9.787721042e-01 -9.787721042e-01 3.84 -9.478034016e-01 -9.478034016e-01 3.86 -9.174646788e-01 -9.174646788e-01 3.88 -8.877303698e-01 -8.877303698e-01 3.90 -8.585776705e-01 -8.585776705e-01 3.92 -8.299868019e-01 -8.299868019e-01 3.94 -8.019412859e-01 -8.019412859e-01 3.96 -7.744282513e-01 -7.744282513e-01 3.98 -7.474387854e-01 -7.474387854e-01 4.00 -7.209682996e-01 -7.209682996e-01 4.02 -6.950168583e-01 -6.950168583e-01 4.04 -6.695893871e-01 -6.695893871e-01 4.06 -6.446956647e-01 -6.446956647e-01 4.08 -6.203500023e-01 -6.203500023e-01 4.10 -5.965705505e-01 -5.965705505e-01 4.12 -5.733782324e-01 -5.733782324e-01 4.14 -5.507953453e-01 -5.507953453e-01 4.16 -5.288439939e-01 -5.288439939e-01 4.18 -5.075445072e-01 -5.075445072e-01 4.20 -4.869140324e-01 -4.869140324e-01 4.22 -4.669654466e-01 -4.669654466e-01 4.24 -4.477066553e-01 -4.477066553e-01 4.26 -4.291402621e-01 -4.291402621e-01 4.28 -4.112635241e-01 -4.112635241e-01 4.30 -3.940684766e-01 -3.940684766e-01 4.32 -3.775421242e-01 -3.775421242e-01 4.34 -3.616666380e-01 -3.616666380e-01 4.36 -3.464195562e-01 -3.464195562e-01 4.38 -3.317740279e-01 -3.317740279e-01 4.40 -3.176991585e-01 -3.176991585e-01 4.42 -3.041605082e-01 -3.041605082e-01 4.44 -2.911207625e-01 -2.911207625e-01 4.46 -2.785405687e-01 -2.785405687e-01 4.48 -2.663794987e-01 -2.663794987e-01 4.50 -2.545970912e-01 -2.545970912e-01 4.52 -2.431539199e-01 -2.431539199e-01 4.54 -2.320126455e-01 -2.320126455e-01 4.56 -2.211390147e-01 -2.211390147e-01 4.58 -2.105027799e-01 -2.105027799e-01 4.60 -2.000785153e-01 -2.000785153e-01 4.62 -1.898463033e-01 -1.898463033e-01 4.64 -1.797922600e-01 -1.797922600e-01 4.66 -1.699088635e-01 -1.699088635e-01 4.68 -1.601950443e-01 -1.601950443e-01 4.70 -1.506560026e-01 -1.506560026e-01 4.72 -1.413027299e-01 -1.413027299e-01 4.74 -1.321512348e-01 -1.321512348e-01 4.76 -1.232215048e-01 -1.232215048e-01 4.78 -1.145362668e-01 -1.145362668e-01 4.80 -1.061196406e-01 -1.061196406e-01 4.82 -9.799579866e-02 -9.799579866e-02 4.84 -9.018773048e-02 -9.018773048e-02 4.86 -8.271622100e-02 -8.271622100e-02 4.88 -7.559908602e-02 -7.559908602e-02 4.90 -6.885068573e-02 -6.885068573e-02 4.92 -6.248169010e-02 -6.248169010e-02 4.94 -5.649904462e-02 -5.649904462e-02 4.96 -5.090605816e-02 -5.090605816e-02 4.98 -4.570256603e-02 -4.570256603e-02 5.00 -4.088512175e-02 -4.088512175e-02 5.02 -3.644718762e-02 -3.644718762e-02 5.04 -3.237906868e-02 -3.237906868e-02 5.06 -2.866853373e-02 -2.866853373e-02 5.08 -2.530137506e-02 -2.530137506e-02 5.10 -2.226110529e-02 -2.226110529e-02 5.12 -1.952937821e-02 -1.952937821e-02 5.14 -1.708641908e-02 -1.708641908e-02 5.16 -1.491136068e-02 -1.491136068e-02 5.18 -1.298312140e-02 -1.298312140e-02 5.20 -1.128059566e-02 -1.128059566e-02 5.22 -9.782984894e-03 -9.782984894e-03 5.24 -8.470146111e-03 -8.470146111e-03 5.26 -7.322871228e-03 -7.322871228e-03 5.28 -6.323095126e-03 -6.323095126e-03 5.30 -5.454035608e-03 -5.454035608e-03 5.32 -4.700272112e-03 -4.700272112e-03 5.34 -4.047772238e-03 -4.047772238e-03 5.36 -3.483876074e-03 -3.483876074e-03 5.38 -2.997248227e-03 -2.997248227e-03 5.40 -2.577806690e-03 -2.577806690e-03 5.42 -2.216636491e-03 -2.216636491e-03 5.44 -1.905894720e-03 -1.905894720e-03 5.46 -1.638712167e-03 -1.638712167e-03 5.48 -1.409095516e-03 -1.409095516e-03 5.50 -1.211832965e-03 -1.211832965e-03 5.52 -1.042405187e-03 -1.042405187e-03 5.54 -8.969028134e-04 -8.969028134e-04 5.56 -7.719510405e-04 -7.719510405e-04 5.58 -6.646415563e-04 -6.646415563e-04 5.60 -5.724716475e-04 -5.724716475e-04 5.62 -4.932901698e-04 -4.932901698e-04 5.64 -4.252499203e-04 -4.252499203e-04 5.66 -3.667658886e-04 -3.667658886e-04 5.68 -3.164788287e-04 -3.164788287e-04 5.70 -2.732235990e-04 -2.732235990e-04 5.72 -2.360017360e-04 -2.360017360e-04 5.74 -2.039577606e-04 -2.039577606e-04 5.76 -1.763587552e-04 -1.763587552e-04 5.78 -1.525767947e-04 -1.525767947e-04 5.80 -1.320738552e-04 -1.320738552e-04 5.82 -1.143888679e-04 -1.143888679e-04 5.84 -9.912662463e-05 -9.912662463e-05 5.86 -8.594827817e-05 -8.594827817e-05 5.88 -7.456321238e-05 -7.456321238e-05 5.90 -6.472208883e-05 -6.472208883e-05 5.92 -5.621090112e-05 -5.621090112e-05 5.94 -4.884589183e-05 -4.884589183e-05 5.96 -4.246920759e-05 -4.246920759e-05 5.98 -3.694518509e-05 -3.694518509e-05 6.00 -3.215717605e-05 -3.215717605e-05