# 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 = AgAlPd2 # 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 2.292335616e+02 2.292335616e+02 1.30 2.126591828e+02 2.126591828e+02 1.32 1.972813217e+02 1.972813217e+02 1.34 1.830055885e+02 1.830055885e+02 1.36 1.697458336e+02 1.697458336e+02 1.38 1.574223393e+02 1.574223393e+02 1.40 1.459611312e+02 1.459611312e+02 1.42 1.352941972e+02 1.352941972e+02 1.44 1.253601847e+02 1.253601847e+02 1.46 1.161049764e+02 1.161049764e+02 1.48 1.074811402e+02 1.074811402e+02 1.50 9.944591156e+01 9.944591156e+01 1.52 9.195882728e+01 9.195882728e+01 1.54 8.498046090e+01 8.498046090e+01 1.56 7.847251216e+01 7.847251216e+01 1.58 7.239853553e+01 7.239853553e+01 1.60 6.672468595e+01 6.672468595e+01 1.62 6.142029638e+01 6.142029638e+01 1.64 5.647038952e+01 5.647038952e+01 1.66 5.187602477e+01 5.187602477e+01 1.68 4.761517530e+01 4.761517530e+01 1.70 4.366637831e+01 4.366637831e+01 1.72 4.000780485e+01 4.000780485e+01 1.74 3.661829795e+01 3.661829795e+01 1.76 3.347752171e+01 3.347752171e+01 1.78 3.056635071e+01 3.056635071e+01 1.80 2.786722239e+01 2.786722239e+01 1.82 2.536428714e+01 2.536428714e+01 1.84 2.304332421e+01 2.304332421e+01 1.86 2.089148255e+01 2.089148255e+01 1.88 1.889696338e+01 1.889696338e+01 1.90 1.704876942e+01 1.704876942e+01 1.92 1.533659206e+01 1.533659206e+01 1.94 1.375081997e+01 1.375081997e+01 1.96 1.228258894e+01 1.228258894e+01 1.98 1.092378749e+01 1.092378749e+01 2.00 9.666981104e+00 9.666981104e+00 2.02 8.505280634e+00 8.505280634e+00 2.04 7.432213136e+00 7.432213136e+00 2.06 6.441639015e+00 6.441639015e+00 2.08 5.527722080e+00 5.527722080e+00 2.10 4.684934036e+00 4.684934036e+00 2.12 3.908071775e+00 3.908071775e+00 2.14 3.192273870e+00 3.192273870e+00 2.16 2.533030888e+00 2.533030888e+00 2.18 1.926189112e+00 1.926189112e+00 2.20 1.367948582e+00 1.367948582e+00 2.22 8.548550090e-01 8.548550090e-01 2.24 3.837840105e-01 3.837840105e-01 2.26 -4.808320595e-02 -4.808320595e-02 2.28 -4.432916566e-01 -4.432916566e-01 2.30 -8.041494784e-01 -8.041494784e-01 2.32 -1.132767531e+00 -1.132767531e+00 2.34 -1.431099270e+00 -1.431099270e+00 2.36 -1.700978558e+00 -1.700978558e+00 2.38 -1.944152672e+00 -1.944152672e+00 2.40 -2.162308366e+00 -2.162308366e+00 2.42 -2.357090371e+00 -2.357090371e+00 2.44 -2.530113141e+00 -2.530113141e+00 2.46 -2.682966720e+00 -2.682966720e+00 2.48 -2.817216165e+00 -2.817216165e+00 2.50 -2.934393210e+00 -2.934393210e+00 2.52 -3.035981078e+00 -3.035981078e+00 2.54 -3.123397472e+00 -3.123397472e+00 2.56 -3.197982807e+00 -3.197982807e+00 2.58 -3.260997203e+00 -3.260997203e+00 2.60 -3.313924406e+00 -3.313924406e+00 2.62 -3.358342819e+00 -3.358342819e+00 2.64 -3.394897706e+00 -3.394897706e+00 2.66 -3.424648079e+00 -3.424648079e+00 2.68 -3.448353876e+00 -3.448353876e+00 2.70 -3.466180338e+00 -3.466180338e+00 2.72 -3.478278401e+00 -3.478278401e+00 2.74 -3.484778072e+00 -3.484778072e+00 2.76 -3.485804921e+00 -3.485804921e+00 2.78 -3.481543846e+00 -3.481543846e+00 2.80 -3.472196457e+00 -3.472196457e+00 2.82 -3.457967861e+00 -3.457967861e+00 2.84 -3.439092650e+00 -3.439092650e+00 2.86 -3.415909207e+00 -3.415909207e+00 2.88 -3.388692037e+00 -3.388692037e+00 2.90 -3.357692212e+00 -3.357692212e+00 2.92 -3.323200706e+00 -3.323200706e+00 2.94 -3.285537619e+00 -3.285537619e+00 2.96 -3.245039394e+00 -3.245039394e+00 2.98 -3.202046834e+00 -3.202046834e+00 3.00 -3.156896381e+00 -3.156896381e+00 3.02 -3.109915599e+00 -3.109915599e+00 3.04 -3.061423967e+00 -3.061423967e+00 3.06 -3.011733990e+00 -3.011733990e+00 3.08 -2.961142841e+00 -2.961142841e+00 3.10 -2.909925857e+00 -2.909925857e+00 3.12 -2.858328770e+00 -2.858328770e+00 3.14 -2.806560357e+00 -2.806560357e+00 3.16 -2.754787767e+00 -2.754787767e+00 3.18 -2.703136052e+00 -2.703136052e+00 3.20 -2.651691793e+00 -2.651691793e+00 3.22 -2.600509726e+00 -2.600509726e+00 3.24 -2.549620849e+00 -2.549620849e+00 3.26 -2.499040546e+00 -2.499040546e+00 3.28 -2.448775773e+00 -2.448775773e+00 3.30 -2.398830791e+00 -2.398830791e+00 3.32 -2.349211344e+00 -2.349211344e+00 3.34 -2.299927376e+00 -2.299927376e+00 3.36 -2.250994505e+00 -2.250994505e+00 3.38 -2.202434496e+00 -2.202434496e+00 3.40 -2.154274950e+00 -2.154274950e+00 3.42 -2.106548439e+00 -2.106548439e+00 3.44 -2.059291254e+00 -2.059291254e+00 3.46 -2.012541946e+00 -2.012541946e+00 3.48 -1.966339803e+00 -1.966339803e+00 3.50 -1.920723352e+00 -1.920723352e+00 3.52 -1.875728980e+00 -1.875728980e+00 3.54 -1.831389732e+00 -1.831389732e+00 3.56 -1.787734294e+00 -1.787734294e+00 3.58 -1.744786200e+00 -1.744786200e+00 3.60 -1.702563227e+00 -1.702563227e+00 3.62 -1.661077011e+00 -1.661077011e+00 3.64 -1.620332840e+00 -1.620332840e+00 3.66 -1.580329642e+00 -1.580329642e+00 3.68 -1.541060154e+00 -1.541060154e+00 3.70 -1.502511283e+00 -1.502511283e+00 3.72 -1.464664625e+00 -1.464664625e+00 3.74 -1.427497173e+00 -1.427497173e+00 3.76 -1.390982150e+00 -1.390982150e+00 3.78 -1.355089967e+00 -1.355089967e+00 3.80 -1.319789238e+00 -1.319789238e+00 3.82 -1.285047824e+00 -1.285047824e+00 3.84 -1.250833834e+00 -1.250833834e+00 3.86 -1.217116551e+00 -1.217116551e+00 3.88 -1.183867265e+00 -1.183867265e+00 3.90 -1.151059975e+00 -1.151059975e+00 3.92 -1.118671989e+00 -1.118671989e+00 3.94 -1.086684449e+00 -1.086684449e+00 3.96 -1.055082749e+00 -1.055082749e+00 3.98 -1.023856951e+00 -1.023856951e+00 4.00 -9.930021140e-01 -9.930021140e-01 4.02 -9.625185668e-01 -9.625185668e-01 4.04 -9.324120484e-01 -9.324120484e-01 4.06 -9.026936665e-01 -9.026936665e-01 4.08 -8.733796090e-01 -8.733796090e-01 4.10 -8.444905597e-01 -8.444905597e-01 4.12 -8.160508846e-01 -8.160508846e-01 4.14 -7.880874975e-01 -7.880874975e-01 4.16 -7.606287327e-01 -7.606287327e-01 4.18 -7.337032077e-01 -7.337032077e-01 4.20 -7.073388815e-01 -7.073388815e-01 4.22 -6.815623818e-01 -6.815623818e-01 4.24 -6.563986066e-01 -6.563986066e-01 4.26 -6.318705148e-01 -6.318705148e-01 4.28 -6.079989563e-01 -6.079989563e-01 4.30 -5.848023768e-01 -5.848023768e-01 4.32 -5.622962699e-01 -5.622962699e-01 4.34 -5.404923354e-01 -5.404923354e-01 4.36 -5.193974041e-01 -5.193974041e-01 4.38 -4.990122822e-01 -4.990122822e-01 4.40 -4.793307188e-01 -4.793307188e-01 4.42 -4.603386992e-01 -4.603386992e-01 4.44 -4.420142179e-01 -4.420142179e-01 4.46 -4.243276075e-01 -4.243276075e-01 4.48 -4.072424112e-01 -4.072424112e-01 4.50 -3.907167161e-01 -3.907167161e-01 4.52 -3.747048186e-01 -3.747048186e-01 4.54 -3.591590764e-01 -3.591590764e-01 4.56 -3.440318100e-01 -3.440318100e-01 4.58 -3.292771370e-01 -3.292771370e-01 4.60 -3.148526494e-01 -3.148526494e-01 4.62 -3.007208664e-01 -3.007208664e-01 4.64 -2.868504125e-01 -2.868504125e-01 4.66 -2.732168811e-01 -2.732168811e-01 4.68 -2.598033538e-01 -2.598033538e-01 4.70 -2.466005544e-01 -2.466005544e-01 4.72 -2.336066330e-01 -2.336066330e-01 4.74 -2.208265985e-01 -2.208265985e-01 4.76 -2.082714472e-01 -2.082714472e-01 4.78 -1.959570639e-01 -1.959570639e-01 4.80 -1.839029935e-01 -1.839029935e-01 4.82 -1.721312370e-01 -1.721312370e-01 4.84 -1.606650813e-01 -1.606650813e-01 4.86 -1.495281852e-01 -1.495281852e-01 4.88 -1.387438590e-01 -1.387438590e-01 4.90 -1.283345825e-01 -1.283345825e-01 4.92 -1.183216905e-01 -1.183216905e-01 4.94 -1.087251603e-01 -1.087251603e-01 4.96 -9.956340044e-02 -9.956340044e-02 4.98 -9.085298918e-02 -9.085298918e-02 5.00 -8.260830740e-02 -8.260830740e-02 5.02 -7.484105731e-02 -7.484105731e-02 5.04 -6.755946291e-02 -6.755946291e-02 5.06 -6.076795274e-02 -6.076795274e-02 5.08 -5.446739052e-02 -5.446739052e-02 5.10 -4.865391199e-02 -4.865391199e-02 5.12 -4.331887223e-02 -4.331887223e-02 5.14 -3.844904150e-02 -3.844904150e-02 5.16 -3.402699467e-02 -3.402699467e-02 5.18 -3.003168754e-02 -3.003168754e-02 5.20 -2.643916367e-02 -2.643916367e-02 5.22 -2.322332918e-02 -2.322332918e-02 5.24 -2.035673832e-02 -2.035673832e-02 5.26 -1.781132068e-02 -1.781132068e-02 5.28 -1.555904815e-02 -1.555904815e-02 5.30 -1.357249382e-02 -1.357249382e-02 5.32 -1.182510956e-02 -1.182510956e-02 5.34 -1.029200056e-02 -1.029200056e-02 5.36 -8.949968411e-03 -8.949968411e-03 5.38 -7.777527745e-03 -7.777527745e-03 5.40 -6.754990670e-03 -6.754990670e-03 5.42 -5.864480124e-03 -5.864480124e-03 5.44 -5.089889678e-03 -5.089889678e-03 5.46 -4.416805087e-03 -4.416805087e-03 5.48 -3.832400425e-03 -3.832400425e-03 5.50 -3.325319110e-03 -3.325319110e-03 5.52 -2.885547833e-03 -2.885547833e-03 5.54 -2.504289353e-03 -2.504289353e-03 5.56 -2.173838416e-03 -2.173838416e-03 5.58 -1.887463684e-03 -1.887463684e-03 5.60 -1.639297482e-03 -1.639297482e-03 5.62 -1.424234366e-03 -1.424234366e-03 5.64 -1.237838878e-03 -1.237838878e-03 5.66 -1.076262471e-03 -1.076262471e-03 5.68 -9.361692609e-04 -9.361692609e-04 5.70 -8.146701056e-04 -8.146701056e-04 5.72 -7.092643782e-04 -7.092643782e-04 5.74 -6.177887714e-04 -6.177887714e-04 5.76 -5.383724478e-04 -5.383724478e-04 5.78 -4.693978711e-04 -4.693978711e-04 5.80 -4.094666879e-04 -4.094666879e-04 5.82 -3.573700715e-04 -3.573700715e-04 5.84 -3.120629900e-04 -3.120629900e-04 5.86 -2.726419124e-04 -2.726419124e-04 5.88 -2.383255152e-04 -2.383255152e-04 5.90 -2.084380037e-04 -2.084380037e-04 5.92 -1.823947018e-04 -1.823947018e-04 5.94 -1.596896123e-04 -1.596896123e-04 5.96 -1.398846791e-04 -1.398846791e-04 5.98 -1.226005256e-04 -1.226005256e-04 6.00 -1.075084643e-04 -1.075084643e-04