# 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 = AlFePd2 # 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 2.171785568e+02 2.171785568e+02 1.30 2.006417267e+02 2.006417267e+02 1.32 1.853430600e+02 1.853430600e+02 1.34 1.711855396e+02 1.711855396e+02 1.36 1.580796782e+02 1.580796782e+02 1.38 1.459416927e+02 1.459416927e+02 1.40 1.346929708e+02 1.346929708e+02 1.42 1.242605183e+02 1.242605183e+02 1.44 1.145779590e+02 1.145779590e+02 1.46 1.055864484e+02 1.055864484e+02 1.48 9.723444953e+01 9.723444953e+01 1.50 8.947596721e+01 8.947596721e+01 1.52 8.226823796e+01 8.226823796e+01 1.54 7.557025421e+01 7.557025421e+01 1.56 6.934250278e+01 6.934250278e+01 1.58 6.354741094e+01 6.354741094e+01 1.60 5.815000705e+01 5.815000705e+01 1.62 5.311860541e+01 5.311860541e+01 1.64 4.843075754e+01 4.843075754e+01 1.66 4.409392445e+01 4.409392445e+01 1.68 4.009092936e+01 4.009092936e+01 1.70 3.640028127e+01 3.640028127e+01 1.72 3.300082675e+01 3.300082675e+01 1.74 2.987193946e+01 2.987193946e+01 1.76 2.699341137e+01 2.699341137e+01 1.78 2.434573371e+01 2.434573371e+01 1.80 2.191049002e+01 2.191049002e+01 1.82 1.967064637e+01 1.967064637e+01 1.84 1.761063294e+01 1.761063294e+01 1.86 1.571621982e+01 1.571621982e+01 1.88 1.397428151e+01 1.397428151e+01 1.90 1.237258434e+01 1.237258434e+01 1.92 1.089969326e+01 1.089969326e+01 1.94 9.545003890e+00 9.545003890e+00 1.96 8.298825429e+00 8.298825429e+00 1.98 7.152420211e+00 7.152420211e+00 2.00 6.097950733e+00 6.097950733e+00 2.02 5.128353926e+00 5.128353926e+00 2.04 4.237201320e+00 4.237201320e+00 2.06 3.418591295e+00 3.418591295e+00 2.08 2.667082628e+00 2.667082628e+00 2.10 1.977654593e+00 1.977654593e+00 2.12 1.345677133e+00 1.345677133e+00 2.14 7.668831746e-01 7.668831746e-01 2.16 2.373421606e-01 2.373421606e-01 2.18 -2.465631731e-01 -2.465631731e-01 2.20 -6.881554358e-01 -6.881554358e-01 2.22 -1.090477801e+00 -1.090477801e+00 2.24 -1.456308761e+00 -1.456308761e+00 2.26 -1.788179228e+00 -1.788179228e+00 2.28 -2.088393339e+00 -2.088393339e+00 2.30 -2.359052941e+00 -2.359052941e+00 2.32 -2.602085314e+00 -2.602085314e+00 2.34 -2.819272910e+00 -2.819272910e+00 2.36 -3.012283484e+00 -3.012283484e+00 2.38 -3.182698157e+00 -3.182698157e+00 2.40 -3.332035254e+00 -3.332035254e+00 2.42 -3.461768902e+00 -3.461768902e+00 2.44 -3.573342358e+00 -3.573342358e+00 2.46 -3.668175842e+00 -3.668175842e+00 2.48 -3.747667124e+00 -3.747667124e+00 2.50 -3.813182910e+00 -3.813182910e+00 2.52 -3.866041988e+00 -3.866041988e+00 2.54 -3.907495947e+00 -3.907495947e+00 2.56 -3.938850048e+00 -3.938850048e+00 2.58 -3.961864254e+00 -3.961864254e+00 2.60 -3.977288159e+00 -3.977288159e+00 2.62 -3.986381168e+00 -3.986381168e+00 2.64 -3.989743074e+00 -3.989743074e+00 2.66 -3.987538218e+00 -3.987538218e+00 2.68 -3.979949547e+00 -3.979949547e+00 2.70 -3.967151573e+00 -3.967151573e+00 2.72 -3.949310168e+00 -3.949310168e+00 2.74 -3.926639619e+00 -3.926639619e+00 2.76 -3.899336873e+00 -3.899336873e+00 2.78 -3.867586197e+00 -3.867586197e+00 2.80 -3.831567933e+00 -3.831567933e+00 2.82 -3.791460414e+00 -3.791460414e+00 2.84 -3.747404599e+00 -3.747404599e+00 2.86 -3.699570237e+00 -3.699570237e+00 2.88 -3.648187099e+00 -3.648187099e+00 2.90 -3.593540698e+00 -3.593540698e+00 2.92 -3.535961627e+00 -3.535961627e+00 2.94 -3.475809951e+00 -3.475809951e+00 2.96 -3.413457440e+00 -3.413457440e+00 2.98 -3.349271211e+00 -3.349271211e+00 3.00 -3.283601831e+00 -3.283601831e+00 3.02 -3.216777135e+00 -3.216777135e+00 3.04 -3.149100697e+00 -3.149100697e+00 3.06 -3.080852439e+00 -3.080852439e+00 3.08 -3.012288749e+00 -3.012288749e+00 3.10 -2.943641042e+00 -2.943641042e+00 3.12 -2.875113304e+00 -2.875113304e+00 3.14 -2.806880435e+00 -2.806880435e+00 3.16 -2.739088943e+00 -2.739088943e+00 3.18 -2.671860815e+00 -2.671860815e+00 3.20 -2.605299806e+00 -2.605299806e+00 3.22 -2.539498738e+00 -2.539498738e+00 3.24 -2.474546087e+00 -2.474546087e+00 3.26 -2.410530546e+00 -2.410530546e+00 3.28 -2.347542906e+00 -2.347542906e+00 3.30 -2.285675280e+00 -2.285675280e+00 3.32 -2.225018241e+00 -2.225018241e+00 3.34 -2.165656727e+00 -2.165656727e+00 3.36 -2.107665663e+00 -2.107665663e+00 3.38 -2.051106128e+00 -2.051106128e+00 3.40 -1.996022633e+00 -1.996022633e+00 3.42 -1.942441831e+00 -1.942441831e+00 3.44 -1.890372617e+00 -1.890372617e+00 3.46 -1.839807454e+00 -1.839807454e+00 3.48 -1.790724544e+00 -1.790724544e+00 3.50 -1.743090480e+00 -1.743090480e+00 3.52 -1.696863006e+00 -1.696863006e+00 3.54 -1.651993625e+00 -1.651993625e+00 3.56 -1.608429854e+00 -1.608429854e+00 3.58 -1.566117040e+00 -1.566117040e+00 3.60 -1.524999712e+00 -1.524999712e+00 3.62 -1.485022505e+00 -1.485022505e+00 3.64 -1.446130718e+00 -1.446130718e+00 3.66 -1.408270604e+00 -1.408270604e+00 3.68 -1.371389460e+00 -1.371389460e+00 3.70 -1.335435619e+00 -1.335435619e+00 3.72 -1.300358393e+00 -1.300358393e+00 3.74 -1.266108043e+00 -1.266108043e+00 3.76 -1.232635790e+00 -1.232635790e+00 3.78 -1.199893908e+00 -1.199893908e+00 3.80 -1.167835887e+00 -1.167835887e+00 3.82 -1.136416675e+00 -1.136416675e+00 3.84 -1.105592978e+00 -1.105592978e+00 3.86 -1.075323609e+00 -1.075323609e+00 3.88 -1.045569873e+00 -1.045569873e+00 3.90 -1.016295986e+00 -1.016295986e+00 3.92 -9.874695206e-01 -9.874695206e-01 3.94 -9.590618970e-01 -9.590618970e-01 3.96 -9.310488637e-01 -9.310488637e-01 3.98 -9.034110244e-01 -9.034110244e-01 4.00 -8.761343214e-01 -8.761343214e-01 4.02 -8.492104469e-01 -8.492104469e-01 4.04 -8.226371072e-01 -8.226371072e-01 4.06 -7.964180624e-01 -7.964180624e-01 4.08 -7.705628717e-01 -7.705628717e-01 4.10 -7.450862953e-01 -7.450862953e-01 4.12 -7.200074200e-01 -7.200074200e-01 4.14 -6.953484367e-01 -6.953484367e-01 4.16 -6.711333967e-01 -6.711333967e-01 4.18 -6.473869544e-01 -6.473869544e-01 4.20 -6.241333108e-01 -6.241333108e-01 4.22 -6.013954467e-01 -6.013954467e-01 4.24 -5.791946597e-01 -5.791946597e-01 4.26 -5.575503269e-01 -5.575503269e-01 4.28 -5.364797508e-01 -5.364797508e-01 4.30 -5.159979204e-01 -5.159979204e-01 4.32 -4.961170608e-01 -4.961170608e-01 4.34 -4.768459193e-01 -4.768459193e-01 4.36 -4.581888388e-01 -4.581888388e-01 4.38 -4.401447552e-01 -4.401447552e-01 4.40 -4.227063043e-01 -4.227063043e-01 4.42 -4.058592266e-01 -4.058592266e-01 4.44 -3.895822099e-01 -3.895822099e-01 4.46 -3.738472403e-01 -3.738472403e-01 4.48 -3.586204505e-01 -3.586204505e-01 4.50 -3.438633910e-01 -3.438633910e-01 4.52 -3.295346068e-01 -3.295346068e-01 4.54 -3.155913896e-01 -3.155913896e-01 4.56 -3.019915808e-01 -3.019915808e-01 4.58 -2.886953182e-01 -2.886953182e-01 4.60 -2.756666407e-01 -2.756666407e-01 4.62 -2.628748823e-01 -2.628748823e-01 4.64 -2.502957998e-01 -2.502957998e-01 4.66 -2.379123839e-01 -2.379123839e-01 4.68 -2.257153121e-01 -2.257153121e-01 4.70 -2.137030118e-01 -2.137030118e-01 4.72 -2.018813178e-01 -2.018813178e-01 4.74 -1.902627375e-01 -1.902627375e-01 4.76 -1.788653709e-01 -1.788653709e-01 4.78 -1.677115690e-01 -1.677115690e-01 4.80 -1.568264411e-01 -1.568264411e-01 4.82 -1.462363812e-01 -1.462363812e-01 4.84 -1.359676539e-01 -1.359676539e-01 4.86 -1.260452739e-01 -1.260452739e-01 4.88 -1.164921492e-01 -1.164921492e-01 4.90 -1.073285449e-01 -1.073285449e-01 4.92 -9.857181143e-02 -9.857181143e-02 4.94 -9.023631585e-02 -9.023631585e-02 4.96 -8.233347013e-02 -8.233347013e-02 4.98 -7.487179389e-02 -7.487179389e-02 5.00 -6.785693502e-02 -6.785693502e-02 5.02 -6.129161293e-02 -6.129161293e-02 5.04 -5.517518632e-02 -5.517518632e-02 5.06 -4.950382735e-02 -4.950382735e-02 5.08 -4.427121484e-02 -4.427121484e-02 5.10 -3.946748180e-02 -3.946748180e-02 5.12 -3.507935062e-02 -3.507935062e-02 5.14 -3.109043451e-02 -3.109043451e-02 5.16 -2.748163832e-02 -2.748163832e-02 5.18 -2.423166229e-02 -2.423166229e-02 5.20 -2.131755305e-02 -2.131755305e-02 5.22 -1.871527853e-02 -1.871527853e-02 5.24 -1.640030052e-02 -1.640030052e-02 5.26 -1.434808957e-02 -1.434808957e-02 5.28 -1.253443026e-02 -1.253443026e-02 5.30 -1.093622929e-02 -1.093622929e-02 5.32 -9.531587262e-03 -9.531587262e-03 5.34 -8.299920646e-03 -8.299920646e-03 5.36 -7.222113827e-03 -7.222113827e-03 5.38 -6.280598449e-03 -6.280598449e-03 5.40 -5.459373481e-03 -5.459373481e-03 5.42 -4.743979159e-03 -4.743979159e-03 5.44 -4.121436907e-03 -4.121436907e-03 5.46 -3.580165773e-03 -3.580165773e-03 5.48 -3.109884130e-03 -3.109884130e-03 5.50 -2.701503618e-03 -2.701503618e-03 5.52 -2.347020684e-03 -2.347020684e-03 5.54 -2.039409648e-03 -2.039409648e-03 5.56 -1.772520046e-03 -1.772520046e-03 5.58 -1.540980063e-03 -1.540980063e-03 5.60 -1.340107116e-03 -1.340107116e-03 5.62 -1.165826087e-03 -1.165826087e-03 5.64 -1.014595336e-03 -1.014595336e-03 5.66 -8.833402832e-04 -8.833402832e-04 5.68 -7.693942198e-04 -7.693942198e-04 5.70 -6.704458490e-04 -6.704458490e-04 5.72 -5.844930200e-04 -5.844930200e-04 5.74 -5.098020858e-04 -5.098020858e-04 5.76 -4.448723180e-04 -4.448723180e-04 5.78 -3.884048401e-04 -3.884048401e-04 5.80 -3.392755654e-04 -3.392755654e-04 5.82 -2.965116713e-04 -2.965116713e-04 5.84 -2.592711793e-04 -2.592711793e-04 5.86 -2.268252539e-04 -2.268252539e-04 5.88 -1.985428757e-04 -1.985428757e-04 5.90 -1.738775810e-04 -1.738775810e-04 5.92 -1.523559964e-04 -1.523559964e-04 5.94 -1.335679317e-04 -1.335679317e-04 5.96 -1.171578214e-04 -1.171578214e-04 5.98 -1.028173338e-04 -1.028173338e-04 6.00 -9.027898895e-05 -9.027898895e-05