# 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 = AuPbTi2 # 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 3.727151024e+02 3.727151024e+02 1.30 3.472241736e+02 3.472241736e+02 1.32 3.235543344e+02 3.235543344e+02 1.34 3.015639824e+02 3.015639824e+02 1.36 2.811213696e+02 2.811213696e+02 1.38 2.621044735e+02 2.621044735e+02 1.40 2.444023747e+02 2.444023747e+02 1.42 2.279155387e+02 2.279155387e+02 1.44 2.125541916e+02 2.125541916e+02 1.46 1.982359398e+02 1.982359398e+02 1.48 1.848841889e+02 1.848841889e+02 1.50 1.724278432e+02 1.724278432e+02 1.52 1.608015356e+02 1.608015356e+02 1.54 1.499455894e+02 1.499455894e+02 1.56 1.398053858e+02 1.398053858e+02 1.58 1.303304135e+02 1.303304135e+02 1.60 1.214735074e+02 1.214735074e+02 1.62 1.131906269e+02 1.131906269e+02 1.64 1.054409552e+02 1.054409552e+02 1.66 9.818701222e+01 9.818701222e+01 1.68 9.139463990e+01 9.139463990e+01 1.70 8.503285606e+01 8.503285606e+01 1.72 7.907350740e+01 7.907350740e+01 1.74 7.349066453e+01 7.349066453e+01 1.76 6.825997954e+01 6.825997954e+01 1.78 6.335830065e+01 6.335830065e+01 1.80 5.876360330e+01 5.876360330e+01 1.82 5.445645350e+01 5.445645350e+01 1.84 5.042787234e+01 5.042787234e+01 1.86 4.666595637e+01 4.666595637e+01 1.88 4.315317339e+01 4.315317339e+01 1.90 3.987297276e+01 3.987297276e+01 1.92 3.681026167e+01 3.681026167e+01 1.94 3.395118308e+01 3.395118308e+01 1.96 3.128282836e+01 3.128282836e+01 1.98 2.879296980e+01 2.879296980e+01 2.00 2.646989794e+01 2.646989794e+01 2.02 2.430240262e+01 2.430240262e+01 2.04 2.227984804e+01 2.227984804e+01 2.06 2.039226861e+01 2.039226861e+01 2.08 1.863044236e+01 1.863044236e+01 2.10 1.698591818e+01 1.698591818e+01 2.12 1.545099847e+01 1.545099847e+01 2.14 1.401866795e+01 1.401866795e+01 2.16 1.268249243e+01 1.268249243e+01 2.18 1.143651187e+01 1.143651187e+01 2.20 1.027514601e+01 1.027514601e+01 2.22 9.193129196e+00 9.193129196e+00 2.24 8.185475318e+00 8.185475318e+00 2.26 7.247471630e+00 7.247471630e+00 2.28 6.374690974e+00 6.374690974e+00 2.30 5.562999771e+00 5.562999771e+00 2.32 4.808546588e+00 4.808546588e+00 2.34 4.107733556e+00 4.107733556e+00 2.36 3.457172765e+00 3.457172765e+00 2.38 2.853655022e+00 2.853655022e+00 2.40 2.294134704e+00 2.294134704e+00 2.42 1.775728746e+00 1.775728746e+00 2.44 1.295720528e+00 1.295720528e+00 2.46 8.515630151e-01 8.515630151e-01 2.48 4.408764913e-01 4.408764913e-01 2.50 6.144115126e-02 6.144115126e-02 2.52 -2.888136658e-01 -2.888136658e-01 2.54 -6.118210192e-01 -6.118210192e-01 2.56 -9.093867504e-01 -9.093867504e-01 2.58 -1.183197956e+00 -1.183197956e+00 2.60 -1.434829583e+00 -1.434829583e+00 2.62 -1.665748974e+00 -1.665748974e+00 2.64 -1.877321705e+00 -1.877321705e+00 2.66 -2.070812519e+00 -2.070812519e+00 2.68 -2.247392750e+00 -2.247392750e+00 2.70 -2.408205520e+00 -2.408205520e+00 2.72 -2.554292936e+00 -2.554292936e+00 2.74 -2.686489680e+00 -2.686489680e+00 2.76 -2.805594617e+00 -2.805594617e+00 2.78 -2.912375117e+00 -2.912375117e+00 2.80 -3.007568413e+00 -3.007568413e+00 2.82 -3.091881654e+00 -3.091881654e+00 2.84 -3.165993055e+00 -3.165993055e+00 2.86 -3.230543558e+00 -3.230543558e+00 2.88 -3.286020649e+00 -3.286020649e+00 2.90 -3.332880740e+00 -3.332880740e+00 2.92 -3.371503261e+00 -3.371503261e+00 2.94 -3.402247353e+00 -3.402247353e+00 2.96 -3.425495473e+00 -3.425495473e+00 2.98 -3.441649635e+00 -3.441649635e+00 3.00 -3.451129725e+00 -3.451129725e+00 3.02 -3.454372276e+00 -3.454372276e+00 3.04 -3.451827105e+00 -3.451827105e+00 3.06 -3.443951493e+00 -3.443951493e+00 3.08 -3.431193152e+00 -3.431193152e+00 3.10 -3.413987000e+00 -3.413987000e+00 3.12 -3.392746012e+00 -3.392746012e+00 3.14 -3.367856682e+00 -3.367856682e+00 3.16 -3.339671936e+00 -3.339671936e+00 3.18 -3.308514259e+00 -3.308514259e+00 3.20 -3.274677148e+00 -3.274677148e+00 3.22 -3.238427841e+00 -3.238427841e+00 3.24 -3.200009692e+00 -3.200009692e+00 3.26 -3.159644006e+00 -3.159644006e+00 3.28 -3.117531544e+00 -3.117531544e+00 3.30 -3.073854041e+00 -3.073854041e+00 3.32 -3.028776011e+00 -3.028776011e+00 3.34 -2.982446880e+00 -2.982446880e+00 3.36 -2.935010307e+00 -2.935010307e+00 3.38 -2.886619943e+00 -2.886619943e+00 3.40 -2.837371496e+00 -2.837371496e+00 3.42 -2.787355332e+00 -2.787355332e+00 3.44 -2.736665529e+00 -2.736665529e+00 3.46 -2.685402273e+00 -2.685402273e+00 3.48 -2.633673303e+00 -2.633673303e+00 3.50 -2.581594857e+00 -2.581594857e+00 3.52 -2.529291479e+00 -2.529291479e+00 3.54 -2.476893456e+00 -2.476893456e+00 3.56 -2.424527797e+00 -2.424527797e+00 3.58 -2.372316706e+00 -2.372316706e+00 3.60 -2.320376389e+00 -2.320376389e+00 3.62 -2.268811457e+00 -2.268811457e+00 3.64 -2.217710885e+00 -2.217710885e+00 3.66 -2.167146172e+00 -2.167146172e+00 3.68 -2.117171743e+00 -2.117171743e+00 3.70 -2.067827112e+00 -2.067827112e+00 3.72 -2.019140027e+00 -2.019140027e+00 3.74 -1.971129787e+00 -1.971129787e+00 3.76 -1.923810146e+00 -1.923810146e+00 3.78 -1.877191501e+00 -1.877191501e+00 3.80 -1.831282309e+00 -1.831282309e+00 3.82 -1.786089868e+00 -1.786089868e+00 3.84 -1.741620648e+00 -1.741620648e+00 3.86 -1.697880375e+00 -1.697880375e+00 3.88 -1.654874004e+00 -1.654874004e+00 3.90 -1.612605666e+00 -1.612605666e+00 3.92 -1.571078262e+00 -1.571078262e+00 3.94 -1.530294960e+00 -1.530294960e+00 3.96 -1.490256746e+00 -1.490256746e+00 3.98 -1.450964084e+00 -1.450964084e+00 4.00 -1.412416412e+00 -1.412416412e+00 4.02 -1.374612093e+00 -1.374612093e+00 4.04 -1.337548377e+00 -1.337548377e+00 4.06 -1.301221398e+00 -1.301221398e+00 4.08 -1.265626215e+00 -1.265626215e+00 4.10 -1.230755668e+00 -1.230755668e+00 4.12 -1.196605772e+00 -1.196605772e+00 4.14 -1.163167744e+00 -1.163167744e+00 4.16 -1.130434066e+00 -1.130434066e+00 4.18 -1.098397294e+00 -1.098397294e+00 4.20 -1.067050402e+00 -1.067050402e+00 4.22 -1.036387096e+00 -1.036387096e+00 4.24 -1.006402053e+00 -1.006402053e+00 4.26 -9.770910491e-01 -9.770910491e-01 4.28 -9.484509358e-01 -9.484509358e-01 4.30 -9.204794504e-01 -9.204794504e-01 4.32 -8.931748683e-01 -8.931748683e-01 4.34 -8.665355237e-01 -8.665355237e-01 4.36 -8.405592547e-01 -8.405592547e-01 4.38 -8.152428391e-01 -8.152428391e-01 4.40 -7.905814913e-01 -7.905814913e-01 4.42 -7.665684770e-01 -7.665684770e-01 4.44 -7.431948834e-01 -7.431948834e-01 4.46 -7.204495546e-01 -7.204495546e-01 4.48 -6.983191784e-01 -6.983191784e-01 4.50 -6.767884918e-01 -6.767884918e-01 4.52 -6.558405654e-01 -6.558405654e-01 4.54 -6.354571238e-01 -6.354571238e-01 4.56 -6.156188704e-01 -6.156188704e-01 4.58 -5.963057905e-01 -5.963057905e-01 4.60 -5.774974220e-01 -5.774974220e-01 4.62 -5.591730910e-01 -5.591730910e-01 4.64 -5.413121167e-01 -5.413121167e-01 4.66 -5.238939984e-01 -5.238939984e-01 4.68 -5.068985945e-01 -5.068985945e-01 4.70 -4.903063098e-01 -4.903063098e-01 4.72 -4.740983011e-01 -4.740983011e-01 4.74 -4.582567126e-01 -4.582567126e-01 4.76 -4.427649460e-01 -4.427649460e-01 4.78 -4.276079678e-01 -4.276079678e-01 4.80 -4.127718517e-01 -4.127718517e-01 4.82 -3.982474521e-01 -3.982474521e-01 4.84 -3.840255859e-01 -3.840255859e-01 4.86 -3.701009772e-01 -3.701009772e-01 4.88 -3.564715839e-01 -3.564715839e-01 4.90 -3.431387677e-01 -3.431387677e-01 4.92 -3.301073190e-01 -3.301073190e-01 4.94 -3.173852940e-01 -3.173852940e-01 4.96 -3.049836384e-01 -3.049836384e-01 4.98 -2.929155831e-01 -2.929155831e-01 5.00 -2.811958290e-01 -2.811958290e-01 5.02 -2.698395632e-01 -2.698395632e-01 5.04 -2.588613771e-01 -2.588613771e-01 5.06 -2.482741803e-01 -2.482741803e-01 5.08 -2.380882102e-01 -2.380882102e-01 5.10 -2.283102316e-01 -2.283102316e-01 5.12 -2.189429987e-01 -2.189429987e-01 5.14 -2.099850151e-01 -2.099850151e-01 5.16 -2.014305938e-01 -2.014305938e-01 5.18 -1.932701771e-01 -1.932701771e-01 5.20 -1.854908546e-01 -1.854908546e-01 5.22 -1.780770035e-01 -1.780770035e-01 5.24 -1.710109723e-01 -1.710109723e-01 5.26 -1.642737433e-01 -1.642737433e-01 5.28 -1.578455249e-01 -1.578455249e-01 5.30 -1.517062435e-01 -1.517062435e-01 5.32 -1.458359250e-01 -1.458359250e-01 5.34 -1.402149703e-01 -1.402149703e-01 5.36 -1.348243390e-01 -1.348243390e-01 5.38 -1.296456608e-01 -1.296456608e-01 5.40 -1.246612981e-01 -1.246612981e-01 5.42 -1.198543783e-01 -1.198543783e-01 5.44 -1.152088148e-01 -1.152088148e-01 5.46 -1.107093299e-01 -1.107093299e-01 5.48 -1.063414886e-01 -1.063414886e-01 5.50 -1.020917508e-01 -1.020917508e-01 5.52 -9.794754345e-02 -9.794754345e-02 5.54 -9.389735575e-02 -9.389735575e-02 5.56 -8.993085300e-02 -8.993085300e-02 5.58 -8.603900785e-02 -8.603900785e-02 5.60 -8.221424177e-02 -8.221424177e-02 5.62 -7.845056851e-02 -7.845056851e-02 5.64 -7.474372821e-02 -7.474372821e-02 5.66 -7.109129883e-02 -7.109129883e-02 5.68 -6.749276688e-02 -6.749276688e-02 5.70 -6.394954472e-02 -6.394954472e-02 5.72 -6.046491640e-02 -6.046491640e-02 5.74 -5.704390005e-02 -5.704390005e-02 5.76 -5.369302098e-02 -5.369302098e-02 5.78 -5.041999861e-02 -5.041999861e-02 5.80 -4.723335641e-02 -4.723335641e-02 5.82 -4.414197781e-02 -4.414197781e-02 5.84 -4.115464016e-02 -4.115464016e-02 5.86 -3.827955967e-02 -3.827955967e-02 5.88 -3.552398309e-02 -3.552398309e-02 5.90 -3.289385730e-02 -3.289385730e-02 5.92 -3.039341738e-02 -3.039341738e-02 5.94 -2.802492843e-02 -2.802492843e-02 5.96 -2.578973333e-02 -2.578973333e-02 5.98 -2.368766521e-02 -2.368766521e-02 6.00 -2.171707270e-02 -2.171707270e-02