# 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 = FeMgTa2 # 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 3.916911831e+02 3.916911831e+02 1.30 3.621269450e+02 3.621269450e+02 1.32 3.348120294e+02 3.348120294e+02 1.34 3.095569624e+02 3.095569624e+02 1.36 2.861933934e+02 2.861933934e+02 1.38 2.645715596e+02 2.645715596e+02 1.40 2.445574002e+02 2.445574002e+02 1.42 2.260299076e+02 2.260299076e+02 1.44 2.088786956e+02 2.088786956e+02 1.46 1.930017118e+02 1.930017118e+02 1.48 1.783032412e+02 1.783032412e+02 1.50 1.646925229e+02 1.646925229e+02 1.52 1.520833011e+02 1.520833011e+02 1.54 1.403943676e+02 1.403943676e+02 1.56 1.295507156e+02 1.295507156e+02 1.58 1.194845675e+02 1.194845675e+02 1.60 1.101356506e+02 1.101356506e+02 1.62 1.014506009e+02 1.014506009e+02 1.64 9.338184918e+01 9.338184918e+01 1.66 8.588643304e+01 8.588643304e+01 1.68 7.892501924e+01 7.892501924e+01 1.70 7.246120039e+01 7.246120039e+01 1.72 6.646101516e+01 6.646101516e+01 1.74 6.089263916e+01 6.089263916e+01 1.76 5.572621169e+01 5.572621169e+01 1.78 5.093376330e+01 5.093376330e+01 1.80 4.649072475e+01 4.649072475e+01 1.82 4.238103597e+01 4.238103597e+01 1.84 3.858261297e+01 3.858261297e+01 1.86 3.507371577e+01 3.507371577e+01 1.88 3.183405835e+01 3.183405835e+01 1.90 2.884436679e+01 2.884436679e+01 1.92 2.608647472e+01 2.608647472e+01 1.94 2.354299723e+01 2.354299723e+01 1.96 2.119711011e+01 2.119711011e+01 1.98 1.903255728e+01 1.903255728e+01 2.00 1.703381112e+01 1.703381112e+01 2.02 1.518634727e+01 1.518634727e+01 2.04 1.347694896e+01 1.347694896e+01 2.06 1.189393498e+01 1.189393498e+01 2.08 1.042723055e+01 1.042723055e+01 2.10 9.068264389e+00 9.068264389e+00 2.12 7.809735594e+00 7.809735594e+00 2.14 6.645326451e+00 6.645326451e+00 2.16 5.569429011e+00 5.569429011e+00 2.18 4.576922630e+00 4.576922630e+00 2.20 3.663012770e+00 3.663012770e+00 2.22 2.823119510e+00 2.823119510e+00 2.24 2.052802883e+00 2.052802883e+00 2.26 1.347711644e+00 1.347711644e+00 2.28 7.035474563e-01 7.035474563e-01 2.30 1.160460221e-01 1.160460221e-01 2.32 -4.190252657e-01 -4.190252657e-01 2.34 -9.058426338e-01 -9.058426338e-01 2.36 -1.348477257e+00 -1.348477257e+00 2.38 -1.750825845e+00 -1.750825845e+00 2.40 -2.116535532e+00 -2.116535532e+00 2.42 -2.448940481e+00 -2.448940481e+00 2.44 -2.751013372e+00 -2.751013372e+00 2.46 -3.025135114e+00 -3.025135114e+00 2.48 -3.273762384e+00 -3.273762384e+00 2.50 -3.499179826e+00 -3.499179826e+00 2.52 -3.703345245e+00 -3.703345245e+00 2.54 -3.887958912e+00 -3.887958912e+00 2.56 -4.054522252e+00 -4.054522252e+00 2.58 -4.204381192e+00 -4.204381192e+00 2.60 -4.338550701e+00 -4.338550701e+00 2.62 -4.457611463e+00 -4.457611463e+00 2.64 -4.562166653e+00 -4.562166653e+00 2.66 -4.652862563e+00 -4.652862563e+00 2.68 -4.730359197e+00 -4.730359197e+00 2.70 -4.795307363e+00 -4.795307363e+00 2.72 -4.848332366e+00 -4.848332366e+00 2.74 -4.890023274e+00 -4.890023274e+00 2.76 -4.920927178e+00 -4.920927178e+00 2.78 -4.941547806e+00 -4.941547806e+00 2.80 -4.952348610e+00 -4.952348610e+00 2.82 -4.953757685e+00 -4.953757685e+00 2.84 -4.946176098e+00 -4.946176098e+00 2.86 -4.929986296e+00 -4.929986296e+00 2.88 -4.905560165e+00 -4.905560165e+00 2.90 -4.873265412e+00 -4.873265412e+00 2.92 -4.833469434e+00 -4.833469434e+00 2.94 -4.786540276e+00 -4.786540276e+00 2.96 -4.732844836e+00 -4.732844836e+00 2.98 -4.672745908e+00 -4.672745908e+00 3.00 -4.606597433e+00 -4.606597433e+00 3.02 -4.534733199e+00 -4.534733199e+00 3.04 -4.457469006e+00 -4.457469006e+00 3.06 -4.375102584e+00 -4.375102584e+00 3.08 -4.287915309e+00 -4.287915309e+00 3.10 -4.196179290e+00 -4.196179290e+00 3.12 -4.100167674e+00 -4.100167674e+00 3.14 -4.000170163e+00 -4.000170163e+00 3.16 -3.896507529e+00 -3.896507529e+00 3.18 -3.789508570e+00 -3.789508570e+00 3.20 -3.679519610e+00 -3.679519610e+00 3.22 -3.566981857e+00 -3.566981857e+00 3.24 -3.452441501e+00 -3.452441501e+00 3.26 -3.336546038e+00 -3.336546038e+00 3.28 -3.220030111e+00 -3.220030111e+00 3.30 -3.103690398e+00 -3.103690398e+00 3.32 -2.988350792e+00 -2.988350792e+00 3.34 -2.874821029e+00 -2.874821029e+00 3.36 -2.763853307e+00 -2.763853307e+00 3.38 -2.656102120e+00 -2.656102120e+00 3.40 -2.552091985e+00 -2.552091985e+00 3.42 -2.452196652e+00 -2.452196652e+00 3.44 -2.356630719e+00 -2.356630719e+00 3.46 -2.265453861e+00 -2.265453861e+00 3.48 -2.178585095e+00 -2.178585095e+00 3.50 -2.095824375e+00 -2.095824375e+00 3.52 -2.016878313e+00 -2.016878313e+00 3.54 -1.941407190e+00 -1.941407190e+00 3.56 -1.869006201e+00 -1.869006201e+00 3.58 -1.799228801e+00 -1.799228801e+00 3.60 -1.731634758e+00 -1.731634758e+00 3.62 -1.665807471e+00 -1.665807471e+00 3.64 -1.601368420e+00 -1.601368420e+00 3.66 -1.537976171e+00 -1.537976171e+00 3.68 -1.475258999e+00 -1.475258999e+00 3.70 -1.412877144e+00 -1.412877144e+00 3.72 -1.350571773e+00 -1.350571773e+00 3.74 -1.288172363e+00 -1.288172363e+00 3.76 -1.225602102e+00 -1.225602102e+00 3.78 -1.162880375e+00 -1.162880375e+00 3.80 -1.100121301e+00 -1.100121301e+00 3.82 -1.037527441e+00 -1.037527441e+00 3.84 -9.753782212e-01 -9.753782212e-01 3.86 -9.140132641e-01 -9.140132641e-01 3.88 -8.538115333e-01 -8.538115333e-01 3.90 -7.951679018e-01 -7.951679018e-01 3.92 -7.384690922e-01 -7.384690922e-01 3.94 -6.840718768e-01 -6.840718768e-01 3.96 -6.322837175e-01 -6.322837175e-01 3.98 -5.833497247e-01 -5.833497247e-01 4.00 -5.374447026e-01 -5.374447026e-01 4.02 -4.946710161e-01 -4.946710161e-01 4.04 -4.550614450e-01 -4.550614450e-01 4.06 -4.185859189e-01 -4.185859189e-01 4.08 -3.851608395e-01 -3.851608395e-01 4.10 -3.546593419e-01 -3.546593419e-01 4.12 -3.269238295e-01 -3.269238295e-01 4.14 -3.017736882e-01 -3.017736882e-01 4.16 -2.790162960e-01 -2.790162960e-01 4.18 -2.584542660e-01 -2.584542660e-01 4.20 -2.398916425e-01 -2.398916425e-01 4.22 -2.231386067e-01 -2.231386067e-01 4.24 -2.080148364e-01 -2.080148364e-01 4.26 -1.943517128e-01 -1.943517128e-01 4.28 -1.819935828e-01 -1.819935828e-01 4.30 -1.707982830e-01 -1.707982830e-01 4.32 -1.606371083e-01 -1.606371083e-01 4.34 -1.513943837e-01 -1.513943837e-01 4.36 -1.429667763e-01 -1.429667763e-01 4.38 -1.352624097e-01 -1.352624097e-01 4.40 -1.281999358e-01 -1.281999358e-01 4.42 -1.217075657e-01 -1.217075657e-01 4.44 -1.157219310e-01 -1.157219310e-01 4.46 -1.101866545e-01 -1.101866545e-01 4.48 -1.050536690e-01 -1.050536690e-01 4.50 -1.002807646e-01 -1.002807646e-01 4.52 -9.583072692e-02 -9.583072692e-02 4.54 -9.167082096e-02 -9.167082096e-02 4.56 -8.777228703e-02 -8.777228703e-02 4.58 -8.410986839e-02 -8.410986839e-02 4.60 -8.066137925e-02 -8.066137925e-02 4.62 -7.740731557e-02 -7.740731557e-02 4.64 -7.433050999e-02 -7.433050999e-02 4.66 -7.141582770e-02 -7.141582770e-02 4.68 -6.864989984e-02 -6.864989984e-02 4.70 -6.602089116e-02 -6.602089116e-02 4.72 -6.351829830e-02 -6.351829830e-02 4.74 -6.113277350e-02 -6.113277350e-02 4.76 -5.885597323e-02 -5.885597323e-02 4.78 -5.668042706e-02 -5.668042706e-02 4.80 -5.459921819e-02 -5.459921819e-02 4.82 -5.260674589e-02 -5.260674589e-02 4.84 -5.069728818e-02 -5.069728818e-02 4.86 -4.886587227e-02 -4.886587227e-02 4.88 -4.710792160e-02 -4.710792160e-02 4.90 -4.541929431e-02 -4.541929431e-02 4.92 -4.379619941e-02 -4.379619941e-02 4.94 -4.223513924e-02 -4.223513924e-02 4.96 -4.073287447e-02 -4.073287447e-02 4.98 -3.928639465e-02 -3.928639465e-02 5.00 -3.789289156e-02 -3.789289156e-02 5.02 -3.654973656e-02 -3.654973656e-02 5.04 -3.525446135e-02 -3.525446135e-02 5.06 -3.400474159e-02 -3.400474159e-02 5.08 -3.279838328e-02 -3.279838328e-02 5.10 -3.163331166e-02 -3.163331166e-02 5.12 -3.050756250e-02 -3.050756250e-02 5.14 -2.941927581e-02 -2.941927581e-02 5.16 -2.836669187e-02 -2.836669187e-02 5.18 -2.734814946e-02 -2.734814946e-02 5.20 -2.636208647e-02 -2.636208647e-02 5.22 -2.540704251e-02 -2.540704251e-02 5.24 -2.448166350e-02 -2.448166350e-02 5.26 -2.358470786e-02 -2.358470786e-02 5.28 -2.271505366e-02 -2.271505366e-02 5.30 -2.187170614e-02 -2.187170614e-02 5.32 -2.105380449e-02 -2.105380449e-02 5.34 -2.026062619e-02 -2.026062619e-02 5.36 -1.949155917e-02 -1.949155917e-02 5.38 -1.874614872e-02 -1.874614872e-02 5.40 -1.802408819e-02 -1.802408819e-02 5.42 -1.732518309e-02 -1.732518309e-02 5.44 -1.664932905e-02 -1.664932905e-02 5.46 -1.599648351e-02 -1.599648351e-02 5.48 -1.536663266e-02 -1.536663266e-02 5.50 -1.475975590e-02 -1.475975590e-02 5.52 -1.417579060e-02 -1.417579060e-02 5.54 -1.361460022e-02 -1.361460022e-02 5.56 -1.307594842e-02 -1.307594842e-02 5.58 -1.255948130e-02 -1.255948130e-02 5.60 -1.206471878e-02 -1.206471878e-02 5.62 -1.159105511e-02 -1.159105511e-02 5.64 -1.113776756e-02 -1.113776756e-02 5.66 -1.070403159e-02 -1.070403159e-02 5.68 -1.028894029e-02 -1.028894029e-02 5.70 -9.891525943e-03 -9.891525943e-03 5.72 -9.510781809e-03 -9.510781809e-03 5.74 -9.145682446e-03 -9.145682446e-03 5.76 -8.795201609e-03 -8.795201609e-03 5.78 -8.458327082e-03 -8.458327082e-03 5.80 -8.134072316e-03 -8.134072316e-03 5.82 -7.821485015e-03 -7.821485015e-03 5.84 -7.519653068e-03 -7.519653068e-03 5.86 -7.227708323e-03 -7.227708323e-03 5.88 -6.944828759e-03 -6.944828759e-03 5.90 -6.670239614e-03 -6.670239614e-03 5.92 -6.403213956e-03 -6.403213956e-03 5.94 -6.143073165e-03 -6.143073165e-03 5.96 -5.889187668e-03 -5.889187668e-03 5.98 -5.640978241e-03 -5.640978241e-03 6.00 -5.397918062e-03 -5.397918062e-03