# 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 = AuPb2Ti # 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 4.245340518e+02 4.245340518e+02 1.30 3.965781702e+02 3.965781702e+02 1.32 3.705688472e+02 3.705688472e+02 1.34 3.463529597e+02 3.463529597e+02 1.36 3.237903284e+02 3.237903284e+02 1.38 3.027531468e+02 3.027531468e+02 1.40 2.831258335e+02 2.831258335e+02 1.42 2.648040454e+02 2.648040454e+02 1.44 2.476928121e+02 2.476928121e+02 1.46 2.317048399e+02 2.317048399e+02 1.48 2.167596223e+02 2.167596223e+02 1.50 2.027830272e+02 2.027830272e+02 1.52 1.897067978e+02 1.897067978e+02 1.54 1.774678913e+02 1.774678913e+02 1.56 1.660077508e+02 1.660077508e+02 1.58 1.552717572e+02 1.552717572e+02 1.60 1.452090347e+02 1.452090347e+02 1.62 1.357725796e+02 1.357725796e+02 1.64 1.269194043e+02 1.269194043e+02 1.66 1.186104932e+02 1.186104932e+02 1.68 1.108104727e+02 1.108104727e+02 1.70 1.034869985e+02 1.034869985e+02 1.72 9.661004979e+01 9.661004979e+01 1.74 9.015134347e+01 9.015134347e+01 1.76 8.408406419e+01 8.408406419e+01 1.78 7.838666632e+01 7.838666632e+01 1.80 7.304394952e+01 7.304394952e+01 1.82 6.804201190e+01 6.804201190e+01 1.84 6.336215698e+01 6.336215698e+01 1.86 5.898250311e+01 5.898250311e+01 1.88 5.488283039e+01 5.488283039e+01 1.90 5.104450711e+01 5.104450711e+01 1.92 4.745037379e+01 4.745037379e+01 1.94 4.408461408e+01 4.408461408e+01 1.96 4.093261262e+01 4.093261262e+01 1.98 3.798080805e+01 3.798080805e+01 2.00 3.521655046e+01 3.521655046e+01 2.02 3.262798341e+01 3.262798341e+01 2.04 3.020395776e+01 3.020395776e+01 2.06 2.793398570e+01 2.793398570e+01 2.08 2.580823554e+01 2.580823554e+01 2.10 2.381753990e+01 2.381753990e+01 2.12 2.195340202e+01 2.195340202e+01 2.14 2.020797111e+01 2.020797111e+01 2.16 1.857398882e+01 1.857398882e+01 2.18 1.704472231e+01 1.704472231e+01 2.20 1.561389282e+01 1.561389282e+01 2.22 1.427562065e+01 1.427562065e+01 2.24 1.302438098e+01 1.302438098e+01 2.26 1.185496986e+01 1.185496986e+01 2.28 1.076247846e+01 1.076247846e+01 2.30 9.742263700e+00 9.742263700e+00 2.32 8.789927800e+00 8.789927800e+00 2.34 7.901301328e+00 7.901301328e+00 2.36 7.072427383e+00 7.072427383e+00 2.38 6.299552049e+00 6.299552049e+00 2.40 5.579118102e+00 5.579118102e+00 2.42 4.907762528e+00 4.907762528e+00 2.44 4.282314779e+00 4.282314779e+00 2.46 3.699798049e+00 3.699798049e+00 2.48 3.157429816e+00 3.157429816e+00 2.50 2.652621376e+00 2.652621376e+00 2.52 2.182974845e+00 2.182974845e+00 2.54 1.746276624e+00 1.746276624e+00 2.56 1.340486558e+00 1.340486558e+00 2.58 9.637226535e-01 9.637226535e-01 2.60 6.142422298e-01 6.142422298e-01 2.62 2.904222474e-01 2.904222474e-01 2.64 -9.261999677e-03 -9.261999677e-03 2.66 -2.862739027e-01 -2.862739027e-01 2.68 -5.419990675e-01 -5.419990675e-01 2.70 -7.776862526e-01 -7.776862526e-01 2.72 -9.945296827e-01 -9.945296827e-01 2.74 -1.193670007e+00 -1.193670007e+00 2.76 -1.376192945e+00 -1.376192945e+00 2.78 -1.543128144e+00 -1.543128144e+00 2.80 -1.695449580e+00 -1.695449580e+00 2.82 -1.834075680e+00 -1.834075680e+00 2.84 -1.959892868e+00 -1.959892868e+00 2.86 -2.073602990e+00 -2.073602990e+00 2.88 -2.175829323e+00 -2.175829323e+00 2.90 -2.267181274e+00 -2.267181274e+00 2.92 -2.348253036e+00 -2.348253036e+00 2.94 -2.419623129e+00 -2.419623129e+00 2.96 -2.481854908e+00 -2.481854908e+00 2.98 -2.535498020e+00 -2.535498020e+00 3.00 -2.581090234e+00 -2.581090234e+00 3.02 -2.619155084e+00 -2.619155084e+00 3.04 -2.650204240e+00 -2.650204240e+00 3.06 -2.674742306e+00 -2.674742306e+00 3.08 -2.693260547e+00 -2.693260547e+00 3.10 -2.706234762e+00 -2.706234762e+00 3.12 -2.714119473e+00 -2.714119473e+00 3.14 -2.717349382e+00 -2.717349382e+00 3.16 -2.716330797e+00 -2.716330797e+00 3.18 -2.711446070e+00 -2.711446070e+00 3.20 -2.703051938e+00 -2.703051938e+00 3.22 -2.691478835e+00 -2.691478835e+00 3.24 -2.677029831e+00 -2.677029831e+00 3.26 -2.659979624e+00 -2.659979624e+00 3.28 -2.640574242e+00 -2.640574242e+00 3.30 -2.619031938e+00 -2.619031938e+00 3.32 -2.595545968e+00 -2.595545968e+00 3.34 -2.570341961e+00 -2.570341961e+00 3.36 -2.543560329e+00 -2.543560329e+00 3.38 -2.515282538e+00 -2.515282538e+00 3.40 -2.485591688e+00 -2.485591688e+00 3.42 -2.454574677e+00 -2.454574677e+00 3.44 -2.422321661e+00 -2.422321661e+00 3.46 -2.388927871e+00 -2.388927871e+00 3.48 -2.354493728e+00 -2.354493728e+00 3.50 -2.319124512e+00 -2.319124512e+00 3.52 -2.282922033e+00 -2.282922033e+00 3.54 -2.245979869e+00 -2.245979869e+00 3.56 -2.208395615e+00 -2.208395615e+00 3.58 -2.170268713e+00 -2.170268713e+00 3.60 -2.131697137e+00 -2.131697137e+00 3.62 -2.092774505e+00 -2.092774505e+00 3.64 -2.053588132e+00 -2.053588132e+00 3.66 -2.014218235e+00 -2.014218235e+00 3.68 -1.974738230e+00 -1.974738230e+00 3.70 -1.935215753e+00 -1.935215753e+00 3.72 -1.895713916e+00 -1.895713916e+00 3.74 -1.856292364e+00 -1.856292364e+00 3.76 -1.817007856e+00 -1.817007856e+00 3.78 -1.777914288e+00 -1.777914288e+00 3.80 -1.739062300e+00 -1.739062300e+00 3.82 -1.700498666e+00 -1.700498666e+00 3.84 -1.662265718e+00 -1.662265718e+00 3.86 -1.624400969e+00 -1.624400969e+00 3.88 -1.586937024e+00 -1.586937024e+00 3.90 -1.549901772e+00 -1.549901772e+00 3.92 -1.513318135e+00 -1.513318135e+00 3.94 -1.477207299e+00 -1.477207299e+00 3.96 -1.441584960e+00 -1.441584960e+00 3.98 -1.406464805e+00 -1.406464805e+00 4.00 -1.371858116e+00 -1.371858116e+00 4.02 -1.337774072e+00 -1.337774072e+00 4.04 -1.304219988e+00 -1.304219988e+00 4.06 -1.271201511e+00 -1.271201511e+00 4.08 -1.238722793e+00 -1.238722793e+00 4.10 -1.206784525e+00 -1.206784525e+00 4.12 -1.175393220e+00 -1.175393220e+00 4.14 -1.144547237e+00 -1.144547237e+00 4.16 -1.114247091e+00 -1.114247091e+00 4.18 -1.084493138e+00 -1.084493138e+00 4.20 -1.055285908e+00 -1.055285908e+00 4.22 -1.026626392e+00 -1.026626392e+00 4.24 -9.985162551e-01 -9.985162551e-01 4.26 -9.709579322e-01 -9.709579322e-01 4.28 -9.439545717e-01 -9.439545717e-01 4.30 -9.175098257e-01 -9.175098257e-01 4.32 -8.916274894e-01 -8.916274894e-01 4.34 -8.663110308e-01 -8.663110308e-01 4.36 -8.415630618e-01 -8.415630618e-01 4.38 -8.173848207e-01 -8.173848207e-01 4.40 -7.937757298e-01 -7.937757298e-01 4.42 -7.707330801e-01 -7.707330801e-01 4.44 -7.482518716e-01 -7.482518716e-01 4.46 -7.263248126e-01 -7.263248126e-01 4.48 -7.049424585e-01 -7.049424585e-01 4.50 -6.840934533e-01 -6.840934533e-01 4.52 -6.637648338e-01 -6.637648338e-01 4.54 -6.439423553e-01 -6.439423553e-01 4.56 -6.246108084e-01 -6.246108084e-01 4.58 -6.057543063e-01 -6.057543063e-01 4.60 -5.873565329e-01 -5.873565329e-01 4.62 -5.694009532e-01 -5.694009532e-01 4.64 -5.518709918e-01 -5.518709918e-01 4.66 -5.347501914e-01 -5.347501914e-01 4.68 -5.180223643e-01 -5.180223643e-01 4.70 -5.016717483e-01 -5.016717483e-01 4.72 -4.856831781e-01 -4.856831781e-01 4.74 -4.700422793e-01 -4.700422793e-01 4.76 -4.547356891e-01 -4.547356891e-01 4.78 -4.397513018e-01 -4.397513018e-01 4.80 -4.250770574e-01 -4.250770574e-01 4.82 -4.107073523e-01 -4.107073523e-01 4.84 -3.966337075e-01 -3.966337075e-01 4.86 -3.828516787e-01 -3.828516787e-01 4.88 -3.693592688e-01 -3.693592688e-01 4.90 -3.561570015e-01 -3.561570015e-01 4.92 -3.432478756e-01 -3.432478756e-01 4.94 -3.306371773e-01 -3.306371773e-01 4.96 -3.183321398e-01 -3.183321398e-01 4.98 -3.063414534e-01 -3.063414534e-01 5.00 -2.946746498e-01 -2.946746498e-01 5.02 -2.833414002e-01 -2.833414002e-01 5.04 -2.723507847e-01 -2.723507847e-01 5.06 -2.617105970e-01 -2.617105970e-01 5.08 -2.514267507e-01 -2.514267507e-01 5.10 -2.415028401e-01 -2.415028401e-01 5.12 -2.319398908e-01 -2.319398908e-01 5.14 -2.227363099e-01 -2.227363099e-01 5.16 -2.138880202e-01 -2.138880202e-01 5.18 -2.053887409e-01 -2.053887409e-01 5.20 -1.972303631e-01 -1.972303631e-01 5.22 -1.894033655e-01 -1.894033655e-01 5.24 -1.818972159e-01 -1.818972159e-01 5.26 -1.747007204e-01 -1.747007204e-01 5.28 -1.678022929e-01 -1.678022929e-01 5.30 -1.611901364e-01 -1.611901364e-01 5.32 -1.548523411e-01 -1.548523411e-01 5.34 -1.487769149e-01 -1.487769149e-01 5.36 -1.429517688e-01 -1.429517688e-01 5.38 -1.373646827e-01 -1.373646827e-01 5.40 -1.320032712e-01 -1.320032712e-01 5.42 -1.268549696e-01 -1.268549696e-01 5.44 -1.219070515e-01 -1.219070515e-01 5.46 -1.171466773e-01 -1.171466773e-01 5.48 -1.125609830e-01 -1.125609830e-01 5.50 -1.081371990e-01 -1.081371990e-01 5.52 -1.038627920e-01 -1.038627920e-01 5.54 -9.972562467e-02 -9.972562467e-02 5.56 -9.571412246e-02 -9.571412246e-02 5.58 -9.181744343e-02 -9.181744343e-02 5.60 -8.802564184e-02 -8.802564184e-02 5.62 -8.432981775e-02 -8.432981775e-02 5.64 -8.072224973e-02 -8.072224973e-02 5.66 -7.719650156e-02 -7.719650156e-02 5.68 -7.374749592e-02 -7.374749592e-02 5.70 -7.037154778e-02 -7.037154778e-02 5.72 -6.706635110e-02 -6.706635110e-02 5.74 -6.383091413e-02 -6.383091413e-02 5.76 -6.066544186e-02 -6.066544186e-02 5.78 -5.757106490e-02 -5.757106490e-02 5.80 -5.454928496e-02 -5.454928496e-02 5.82 -5.160289653e-02 -5.160289653e-02 5.84 -4.873511060e-02 -4.873511060e-02 5.86 -4.594917622e-02 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