# 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 = CoCu2Pb # 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 1.763413869e+02 1.763413869e+02 1.30 1.632010381e+02 1.632010381e+02 1.32 1.510433964e+02 1.510433964e+02 1.34 1.397908707e+02 1.397908707e+02 1.36 1.293711848e+02 1.293711848e+02 1.38 1.197170086e+02 1.197170086e+02 1.40 1.107665995e+02 1.107665995e+02 1.42 1.024644900e+02 1.024644900e+02 1.44 9.476114980e+01 9.476114980e+01 1.46 8.761171219e+01 8.761171219e+01 1.48 8.097476241e+01 8.097476241e+01 1.50 7.481181022e+01 7.481181022e+01 1.52 6.908716251e+01 6.908716251e+01 1.54 6.376770870e+01 6.376770870e+01 1.56 5.882261260e+01 5.882261260e+01 1.58 5.422318794e+01 5.422318794e+01 1.60 4.994437115e+01 4.994437115e+01 1.62 4.596960089e+01 4.596960089e+01 1.64 4.227783232e+01 4.227783232e+01 1.66 3.884926722e+01 3.884926722e+01 1.68 3.566602884e+01 3.566602884e+01 1.70 3.271161857e+01 3.271161857e+01 1.72 2.997049447e+01 2.997049447e+01 1.74 2.742781745e+01 2.742781745e+01 1.76 2.506939989e+01 2.506939989e+01 1.78 2.288180275e+01 2.288180275e+01 1.80 2.085246000e+01 2.085246000e+01 1.82 1.896976651e+01 1.896976651e+01 1.84 1.722308871e+01 1.722308871e+01 1.86 1.560271382e+01 1.560271382e+01 1.88 1.409975928e+01 1.409975928e+01 1.90 1.270605468e+01 1.270605468e+01 1.92 1.141402639e+01 1.141402639e+01 1.94 1.021660908e+01 1.021660908e+01 1.96 9.107181693e+00 9.107181693e+00 1.98 8.079549140e+00 8.079549140e+00 2.00 7.127952837e+00 7.127952837e+00 2.02 6.247085532e+00 6.247085532e+00 2.04 5.432080397e+00 5.432080397e+00 2.06 4.678469637e+00 4.678469637e+00 2.08 3.982128032e+00 3.982128032e+00 2.10 3.339222045e+00 3.339222045e+00 2.12 2.746171247e+00 2.746171247e+00 2.14 2.199616690e+00 2.199616690e+00 2.16 1.696398122e+00 1.696398122e+00 2.18 1.233537180e+00 1.233537180e+00 2.20 8.082256110e-01 8.082256110e-01 2.22 4.178203475e-01 4.178203475e-01 2.24 5.984110025e-02 5.984110025e-02 2.26 -2.680335017e-01 -2.680335017e-01 2.28 -5.679803568e-01 -5.679803568e-01 2.30 -8.420489312e-01 -8.420489312e-01 2.32 -1.092189909e+00 -1.092189909e+00 2.34 -1.320260726e+00 -1.320260726e+00 2.36 -1.528023269e+00 -1.528023269e+00 2.38 -1.717121574e+00 -1.717121574e+00 2.40 -1.889068450e+00 -1.889068450e+00 2.42 -2.045251333e+00 -2.045251333e+00 2.44 -2.186817972e+00 -2.186817972e+00 2.46 -2.314778790e+00 -2.314778790e+00 2.48 -2.430039979e+00 -2.430039979e+00 2.50 -2.533424096e+00 -2.533424096e+00 2.52 -2.625690651e+00 -2.625690651e+00 2.54 -2.707554549e+00 -2.707554549e+00 2.56 -2.779698558e+00 -2.779698558e+00 2.58 -2.842906715e+00 -2.842906715e+00 2.60 -2.898061259e+00 -2.898061259e+00 2.62 -2.945311820e+00 -2.945311820e+00 2.64 -2.984837276e+00 -2.984837276e+00 2.66 -3.016884990e+00 -3.016884990e+00 2.68 -3.041763132e+00 -3.041763132e+00 2.70 -3.059832124e+00 -3.059832124e+00 2.72 -3.071495243e+00 -3.071495243e+00 2.74 -3.077190362e+00 -3.077190362e+00 2.76 -3.077408428e+00 -3.077408428e+00 2.78 -3.072635965e+00 -3.072635965e+00 2.80 -3.063316499e+00 -3.063316499e+00 2.82 -3.049840642e+00 -3.049840642e+00 2.84 -3.032547715e+00 -3.032547715e+00 2.86 -3.011732545e+00 -3.011732545e+00 2.88 -2.987656378e+00 -2.987656378e+00 2.90 -2.960558638e+00 -2.960558638e+00 2.92 -2.930667412e+00 -2.930667412e+00 2.94 -2.898207664e+00 -2.898207664e+00 2.96 -2.863414937e+00 -2.863414937e+00 2.98 -2.826552979e+00 -2.826552979e+00 3.00 -2.787830448e+00 -2.787830448e+00 3.02 -2.747460349e+00 -2.747460349e+00 3.04 -2.705663552e+00 -2.705663552e+00 3.06 -2.662663968e+00 -2.662663968e+00 3.08 -2.618675537e+00 -2.618675537e+00 3.10 -2.573897778e+00 -2.573897778e+00 3.12 -2.528508392e+00 -2.528508392e+00 3.14 -2.482657743e+00 -2.482657743e+00 3.16 -2.436464442e+00 -2.436464442e+00 3.18 -2.390028521e+00 -2.390028521e+00 3.20 -2.343432817e+00 -2.343432817e+00 3.22 -2.296744887e+00 -2.296744887e+00 3.24 -2.250018771e+00 -2.250018771e+00 3.26 -2.203296808e+00 -2.203296808e+00 3.28 -2.156611822e+00 -2.156611822e+00 3.30 -2.109989789e+00 -2.109989789e+00 3.32 -2.063452870e+00 -2.063452870e+00 3.34 -2.017022444e+00 -2.017022444e+00 3.36 -1.970721709e+00 -1.970721709e+00 3.38 -1.924577501e+00 -1.924577501e+00 3.40 -1.878620956e+00 -1.878620956e+00 3.42 -1.832888212e+00 -1.832888212e+00 3.44 -1.787418200e+00 -1.787418200e+00 3.46 -1.742252092e+00 -1.742252092e+00 3.48 -1.697431343e+00 -1.697431343e+00 3.50 -1.652995971e+00 -1.652995971e+00 3.52 -1.608983084e+00 -1.608983084e+00 3.54 -1.565425779e+00 -1.565425779e+00 3.56 -1.522352543e+00 -1.522352543e+00 3.58 -1.479787163e+00 -1.479787163e+00 3.60 -1.437749173e+00 -1.437749173e+00 3.62 -1.396254777e+00 -1.396254777e+00 3.64 -1.355318167e+00 -1.355318167e+00 3.66 -1.314953146e+00 -1.314953146e+00 3.68 -1.275174877e+00 -1.275174877e+00 3.70 -1.236001619e+00 -1.236001619e+00 3.72 -1.197456226e+00 -1.197456226e+00 3.74 -1.159567226e+00 -1.159567226e+00 3.76 -1.122369296e+00 -1.122369296e+00 3.78 -1.085902980e+00 -1.085902980e+00 3.80 -1.050213572e+00 -1.050213572e+00 3.82 -1.015349152e+00 -1.015349152e+00 3.84 -9.813578952e-01 -9.813578952e-01 3.86 -9.482848672e-01 -9.482848672e-01 3.88 -9.161686597e-01 -9.161686597e-01 3.90 -8.850382616e-01 -8.850382616e-01 3.92 -8.549102315e-01 -8.549102315e-01 3.94 -8.257885779e-01 -8.257885779e-01 3.96 -7.976620796e-01 -7.976620796e-01 3.98 -7.705064899e-01 -7.705064899e-01 4.00 -7.442856296e-01 -7.442856296e-01 4.02 -7.189534973e-01 -7.189534973e-01 4.04 -6.944566749e-01 -6.944566749e-01 4.06 -6.707367637e-01 -6.707367637e-01 4.08 -6.477326659e-01 -6.477326659e-01 4.10 -6.253816144e-01 -6.253816144e-01 4.12 -6.036250962e-01 -6.036250962e-01 4.14 -5.824037925e-01 -5.824037925e-01 4.16 -5.616635056e-01 -5.616635056e-01 4.18 -5.413551173e-01 -5.413551173e-01 4.20 -5.214356743e-01 -5.214356743e-01 4.22 -5.018693860e-01 -5.018693860e-01 4.24 -4.826285170e-01 -4.826285170e-01 4.26 -4.636941282e-01 -4.636941282e-01 4.28 -4.450566113e-01 -4.450566113e-01 4.30 -4.267159579e-01 -4.267159579e-01 4.32 -4.086817182e-01 -4.086817182e-01 4.34 -3.909726125e-01 -3.909726125e-01 4.36 -3.736157715e-01 -3.736157715e-01 4.38 -3.566455834e-01 -3.566455834e-01 4.40 -3.401021349e-01 -3.401021349e-01 4.42 -3.240292503e-01 -3.240292503e-01 4.44 -3.084721752e-01 -3.084721752e-01 4.46 -2.934750114e-01 -2.934750114e-01 4.48 -2.790780745e-01 -2.790780745e-01 4.50 -2.653154003e-01 -2.653154003e-01 4.52 -2.522126389e-01 -2.522126389e-01 4.54 -2.397855450e-01 -2.397855450e-01 4.56 -2.280392010e-01 -2.280392010e-01 4.58 -2.169680097e-01 -2.169680097e-01 4.60 -2.065563856e-01 -2.065563856e-01 4.62 -1.967800280e-01 -1.967800280e-01 4.64 -1.876075717e-01 -1.876075717e-01 4.66 -1.790024128e-01 -1.790024128e-01 4.68 -1.709245500e-01 -1.709245500e-01 4.70 -1.633323096e-01 -1.633323096e-01 4.72 -1.561834684e-01 -1.561834684e-01 4.74 -1.494369362e-01 -1.494369362e-01 4.76 -1.430547462e-01 -1.430547462e-01 4.78 -1.370014650e-01 -1.370014650e-01 4.80 -1.312440487e-01 -1.312440487e-01 4.82 -1.257556004e-01 -1.257556004e-01 4.84 -1.205104226e-01 -1.205104226e-01 4.86 -1.154876891e-01 -1.154876891e-01 4.88 -1.106703983e-01 -1.106703983e-01 4.90 -1.060451352e-01 -1.060451352e-01 4.92 -1.016017031e-01 -1.016017031e-01 4.94 -9.733264167e-02 -9.733264167e-02 4.96 -9.323265755e-02 -9.323265755e-02 4.98 -8.929800291e-02 -8.929800291e-02 5.00 -8.552584892e-02 -8.552584892e-02 5.02 -8.191370434e-02 -8.191370434e-02 5.04 -7.845892677e-02 -7.845892677e-02 5.06 -7.515836202e-02 -7.515836202e-02 5.08 -7.200813023e-02 -7.200813023e-02 5.10 -6.900355736e-02 -6.900355736e-02 5.12 -6.613923316e-02 -6.613923316e-02 5.14 -6.340916366e-02 -6.340916366e-02 5.16 -6.080698011e-02 -6.080698011e-02 5.18 -5.832616709e-02 -5.832616709e-02 5.20 -5.596027775e-02 -5.596027775e-02 5.22 -5.370311270e-02 -5.370311270e-02 5.24 -5.154884877e-02 -5.154884877e-02 5.26 -4.949210735e-02 -4.949210735e-02 5.28 -4.752792063e-02 -4.752792063e-02 5.30 -4.565184013e-02 -4.565184013e-02 5.32 -4.385982987e-02 -4.385982987e-02 5.34 -4.214816036e-02 -4.214816036e-02 5.36 -4.051332265e-02 -4.051332265e-02 5.38 -3.895194518e-02 -3.895194518e-02 5.40 -3.746072196e-02 -3.746072196e-02 5.42 -3.603635731e-02 -3.603635731e-02 5.44 -3.467552981e-02 -3.467552981e-02 5.46 -3.337487506e-02 -3.337487506e-02 5.48 -3.213098528e-02 -3.213098528e-02 5.50 -3.094042216e-02 -3.094042216e-02 5.52 -2.979973892e-02 -2.979973892e-02 5.54 -2.870550777e-02 -2.870550777e-02 5.56 -2.765434911e-02 -2.765434911e-02 5.58 -2.664295986e-02 -2.664295986e-02 5.60 -2.566813915e-02 -2.566813915e-02 5.62 -2.472681017e-02 -2.472681017e-02 5.64 -2.381603787e-02 -2.381603787e-02 5.66 -2.293304292e-02 -2.293304292e-02 5.68 -2.207521241e-02 -2.207521241e-02 5.70 -2.124010805e-02 -2.124010805e-02 5.72 -2.042547273e-02 -2.042547273e-02 5.74 -1.962923644e-02 -1.962923644e-02 5.76 -1.884952209e-02 -1.884952209e-02 5.78 -1.808465198e-02 -1.808465198e-02 5.80 -1.733315514e-02 -1.733315514e-02 5.82 -1.659377575e-02 -1.659377575e-02 5.84 -1.586548240e-02 -1.586548240e-02 5.86 -1.514747787e-02 -1.514747787e-02 5.88 -1.443920864e-02 -1.443920864e-02 5.90 -1.374037317e-02 -1.374037317e-02 5.92 -1.305092786e-02 -1.305092786e-02 5.94 -1.237107831e-02 -1.237107831e-02 5.96 -1.170123477e-02 -1.170123477e-02 5.98 -1.104212418e-02 -1.104212418e-02 6.00 -1.039471752e-02 -1.039471752e-02