# 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 = AlCu3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 1.011595655e+02 nan nan 1.16 9.252990557e+01 nan nan 1.18 8.462281321e+01 nan nan 1.20 7.737629926e+01 nan nan 1.22 7.073308433e+01 nan nan 1.24 6.463876477e+01 nan nan 1.26 5.904377620e+01 nan nan 1.28 5.390374117e+01 8.668257738e+01 1.003908134e+02 1.30 4.917788214e+01 7.981933108e+01 9.269282123e+01 1.32 4.482865573e+01 7.348211834e+01 8.557776011e+01 1.34 4.082281196e+01 6.762665656e+01 7.899793626e+01 1.36 3.713189255e+01 6.221386538e+01 7.290970543e+01 1.38 3.373151201e+01 5.721012273e+01 6.727214920e+01 1.40 3.060028290e+01 5.258575799e+01 6.204646971e+01 1.42 2.771879906e+01 4.831318257e+01 5.719706438e+01 1.44 2.507029935e+01 4.436525674e+01 5.269320290e+01 1.46 2.263820774e+01 4.071446467e+01 4.850931178e+01 1.48 2.040438888e+01 3.733354780e+01 4.462339910e+01 1.50 1.835119396e+01 3.419730918e+01 4.101513496e+01 1.52 1.646233769e+01 3.128421855e+01 3.766505673e+01 1.54 1.472350037e+01 2.857658193e+01 3.455485504e+01 1.56 1.312226826e+01 2.605984976e+01 3.166779837e+01 1.58 1.164756398e+01 2.372253189e+01 2.898872530e+01 1.60 1.028907811e+01 2.155249827e+01 2.650391149e+01 1.62 9.037037879e+00 1.953863710e+01 2.420199362e+01 1.64 7.882315463e+00 1.767108532e+01 2.207018877e+01 1.66 6.816734409e+00 1.594092834e+01 2.009519238e+01 1.68 5.833374489e+00 1.433976360e+01 1.826344352e+01 1.70 4.926658362e+00 1.285940462e+01 1.656178260e+01 1.72 4.092140253e+00 1.149175385e+01 1.497847182e+01 1.74 3.326112501e+00 1.022875756e+01 1.350389253e+01 1.76 2.625205643e+00 9.062445960e+00 1.213050710e+01 1.78 1.986079916e+00 7.985112918e+00 1.085226473e+01 1.80 1.405214931e+00 6.989600673e+00 9.663911465e+00 1.82 8.787743375e-01 6.069546659e+00 8.560515481e+00 1.84 4.025502183e-01 5.219447966e+00 7.537253477e+00 1.86 -2.797177486e-02 4.434512920e+00 6.589360017e+00 1.88 -4.174024052e-01 3.710390205e+00 5.712144888e+00 1.90 -7.701514257e-01 3.042903256e+00 4.901045093e+00 1.92 -1.090168203e+00 2.427885935e+00 4.151697383e+00 1.94 -1.380821055e+00 1.861165451e+00 3.459981102e+00 1.96 -1.644921670e+00 1.338682305e+00 2.821979003e+00 1.98 -1.884824611e+00 8.566807967e-01 2.233882590e+00 2.00 -2.102523686e+00 4.118775857e-01 1.691939746e+00 2.02 -2.299709134e+00 1.539678363e-03 1.192512898e+00 2.04 -2.477797689e+00 -3.765469338e-01 7.322173217e-01 2.06 -2.637967579e+00 -7.241938187e-01 3.080469267e-01 2.08 -2.781218749e+00 -1.042963666e+00 -8.258246926e-02 2.10 -2.908455127e+00 -1.334310545e+00 -4.418793134e-01 2.12 -3.020571673e+00 -1.599675122e+00 -7.717771392e-01 2.14 -3.118526541e+00 -1.840529541e+00 -1.074051988e+00 2.16 -3.203380621e+00 -2.058384992e+00 -1.350431706e+00 2.18 -3.276290989e+00 -2.254779417e+00 -1.602681105e+00 2.20 -3.338455784e+00 -2.431258330e+00 -1.832646562e+00 2.22 -3.391027146e+00 -2.589355928e+00 -2.042242774e+00 2.24 -3.435025209e+00 -2.730580369e+00 -2.233376028e+00 2.26 -3.471287588e+00 -2.856405683e+00 -2.407823490e+00 2.28 -3.500487178e+00 -2.968269585e+00 -2.567113445e+00 2.30 -3.523908383e+00 -3.067569479e+00 -2.712454495e+00 2.32 -3.542497378e+00 -3.155643712e+00 -2.844737006e+00 2.34 -3.555864926e+00 -3.233729272e+00 -2.964595190e+00 2.36 -3.563638740e+00 -3.302903814e+00 -3.072497373e+00 2.38 -3.565736692e+00 -3.364035708e+00 -3.168833176e+00 2.40 -3.562300182e+00 -3.417767513e+00 -3.253980559e+00 2.42 -3.553613022e+00 -3.464542523e+00 -3.328350466e+00 2.44 -3.540030200e+00 -3.504663684e+00 -3.392414794e+00 2.46 -3.521990274e+00 -3.538363010e+00 -3.446724720e+00 2.48 -3.499948176e+00 -3.565861578e+00 -3.491923305e+00 2.50 -3.474296768e+00 -3.587927176e+00 -3.528751780e+00 2.52 -3.445367578e+00 -3.605764383e+00 -3.558045230e+00 2.54 -3.413433822e+00 -3.618853349e+00 -3.580712305e+00 2.56 -3.378711130e+00 -3.626809938e+00 -3.597763449e+00 2.58 -3.341359061e+00 -3.629453695e+00 -3.611427345e+00 2.60 -3.301486708e+00 -3.626776413e+00 -3.622322208e+00 2.62 -3.259163594e+00 -3.618912206e+00 -3.630186195e+00 2.64 -3.214435181e+00 -3.606106479e+00 -3.634810441e+00 2.66 -3.167341339e+00 -3.588691893e+00 -3.636003313e+00 2.68 -3.117936006e+00 -3.567120900e+00 -3.633574922e+00 2.70 -3.066306037e+00 -3.541897621e+00 -3.627338234e+00 2.72 -3.012586775e+00 -3.513505903e+00 -3.617122347e+00 2.74 -2.956971401e+00 -3.482390418e+00 -3.602798813e+00 2.76 -2.899711499e+00 -3.448938902e+00 -3.584324382e+00 2.78 -2.841107859e+00 -3.413465987e+00 -3.561742687e+00 2.80 -2.781493183e+00 -3.376203342e+00 -3.535157958e+00 2.82 -2.721210701e+00 -3.337300032e+00 -3.504745725e+00 2.84 -2.660593640e+00 -3.296833893e+00 -3.470759487e+00 2.86 -2.599949077e+00 -3.254831095e+00 -3.433528424e+00 2.88 -2.539547270e+00 -3.211289338e+00 -3.393444217e+00 2.90 -2.479615479e+00 -3.166200358e+00 -3.350937184e+00 2.92 -2.420334831e+00 -3.119568946e+00 -3.306445153e+00 2.94 -2.361839630e+00 -3.071427386e+00 -3.260381325e+00 2.96 -2.304219287e+00 -3.021845400e+00 -3.213108105e+00 2.98 -2.247523544e+00 -2.970936028e+00 -3.164922168e+00 3.00 -2.191770564e+00 -2.918857688e+00 -3.116052225e+00 3.02 -2.136956736e+00 -2.865812127e+00 -3.066667856e+00 3.04 -2.083066435e+00 -2.812037665e+00 -3.016895045e+00 3.06 -2.030080179e+00 -2.757797491e+00 -2.966833801e+00 3.08 -1.977980223e+00 -2.703363528e+00 -2.916573816e+00 3.10 -1.926753457e+00 -2.648997959e+00 -2.866205369e+00 3.12 -1.876391970e+00 -2.594935253e+00 -2.815824026e+00 3.14 -1.826891997e+00 -2.541367885e+00 -2.765529023e+00 3.16 -1.778251973e+00 -2.488437850e+00 -2.715416463e+00 3.18 -1.730470298e+00 -2.436234810e+00 -2.665569536e+00 3.20 -1.683543254e+00 -2.384799934e+00 -2.616048577e+00 3.22 -1.637463324e+00 -2.334133757e+00 -2.566883706e+00 3.24 -1.592218016e+00 -2.284206055e+00 -2.518071876e+00 3.26 -1.547789204e+00 -2.234966112e+00 -2.469579010e+00 3.28 -1.504152926e+00 -2.186352228e+00 -2.421346527e+00 3.30 -1.461279576e+00 -2.138299871e+00 -2.373300788e+00 3.32 -1.419134387e+00 -2.090748181e+00 -2.325363697e+00 3.34 -1.377678184e+00 -2.043644772e+00 -2.277462857e+00 3.36 -1.336868358e+00 -1.996948873e+00 -2.229540184e+00 3.38 -1.296660106e+00 -1.950632898e+00 -2.181558362e+00 3.40 -1.257007997e+00 -1.904682620e+00 -2.133504967e+00 3.42 -1.217867948e+00 -1.859096185e+00 -2.085394405e+00 3.44 -1.179199737e+00 -1.813882195e+00 -2.037267883e+00 3.46 -1.140969963e+00 -1.769057247e+00 -1.989191684e+00 3.48 -1.103155566e+00 -1.724643173e+00 -1.941253954e+00 3.50 -1.065747561e+00 -1.680664311e+00 -1.893560126e+00 3.52 -1.028754632e+00 -1.637145029e+00 -1.846227253e+00 3.54 -9.922060162e-01 -1.594107685e+00 -1.799377414e+00 3.56 -9.561529574e-01 -1.551571144e+00 -1.753130887e+00 3.58 -9.206680410e-01 -1.509549906e+00 -1.707599601e+00 3.60 -8.858418940e-01 -1.468053886e+00 -1.662881633e+00 3.62 -8.517771498e-01 -1.427088824e+00 -1.619057297e+00 3.64 -8.185801296e-01 -1.386657303e+00 -1.576187135e+00 3.66 -7.863512615e-01 -1.346760323e+00 -1.534311755e+00 3.68 -7.551756615e-01 -1.307399333e+00 -1.493453204e+00 3.70 -7.251153710e-01 -1.268578588e+00 -1.453617374e+00 3.72 -6.962044481e-01 -1.230307614e+00 -1.414796912e+00 3.74 -6.684475249e-01 -1.192603518e+00 -1.376974188e+00 3.76 -6.418217670e-01 -1.155492772e+00 -1.340124009e+00 3.78 -6.162815977e-01 -1.119012102e+00 -1.304215906e+00 3.80 -5.917652147e-01 -1.083208137e+00 -1.269215937e+00 3.82 -5.682018477e-01 -1.048135577e+00 -1.235088037e+00 3.84 -5.455188238e-01 -1.013853868e+00 -1.201794984e+00 3.86 -5.236477283e-01 -9.804226580e-01 -1.169299054e+00 3.88 -5.025291782e-01 -9.478965408e-01 -1.137562439e+00 3.90 -4.821159277e-01 -9.163198123e-01 -1.106547498e+00 3.92 -4.623741865e-01 -8.857219819e-01 -1.076216868e+00 3.94 -4.432831924e-01 -8.561146693e-01 -1.046533505e+00 3.96 -4.248331677e-01 -8.274901879e-01 -1.017460586e+00 3.98 -4.070220383e-01 -7.998219068e-01 -9.889614099e-01 4.00 -3.898513345e-01 -7.730660912e-01 -9.609992231e-01 4.02 -3.733218517e-01 -7.471648101e-01 -9.335370293e-01 4.04 -3.574296477e-01 -7.220494246e-01 -9.065374045e-01 4.06 -3.421628750e-01 -6.976442271e-01 -8.799623507e-01 4.08 -3.274997858e-01 -6.738699167e-01 -8.537732269e-01 4.10 -3.134080361e-01 -6.506467280e-01 -8.279308011e-01 4.12 -2.998452146e-01 -6.278972084e-01 -8.023954666e-01 4.14 -2.867603692e-01 -6.055485362e-01 -7.771276694e-01 4.16 -2.740962449e-01 -5.835346346e-01 -7.520885881e-01 4.18 -2.617919050e-01 -5.617980126e-01 -7.272411021e-01 4.20 -2.497854941e-01 -5.402914414e-01 -7.025510703e-01 4.22 -2.380169843e-01 -5.189794672e-01 -6.779889247e-01 4.24 -2.264308059e-01 -4.978397239e-01 -6.535315494e-01 4.26 -2.149781771e-01 -4.768639680e-01 -6.291643778e-01 4.28 -2.036192127e-01 -4.560587316e-01 -6.048835884e-01 4.30 -1.923256602e-01 -4.354454748e-01 -5.806982203e-01 4.32 -1.810817994e-01 -4.150601334e-01 -5.566319751e-01 4.34 -1.698856659e-01 -3.949519824e-01 -5.327244276e-01 4.36 -1.587497688e-01 -3.751817781e-01 -5.090313528e-01 4.38 -1.477010854e-01 -3.558191950e-01 -4.856239095e-01 4.40 -1.367801440e-01 -3.369396292e-01 -4.625865056e-01 4.42 -1.260392172e-01 -3.186205044e-01 -4.400133145e-01 4.44 -1.155395724e-01 -3.009372806e-01 -4.180035942e-01 4.46 -1.053479486e-01 -2.839594218e-01 -3.966561569e-01 4.48 -9.553251541e-02 -2.677466225e-01 -3.760634960e-01 4.50 -8.615867065e-02 -2.523455983e-01 -3.563061690e-01 4.52 -7.728507877e-02 -2.377877118e-01 -3.374480135e-01 4.54 -6.896035609e-02 -2.240876254e-01 -3.195327342e-01 4.56 -6.122063964e-02 -2.112430561e-01 -3.025819877e-01 4.58 -5.408828989e-02 -1.992355900e-01 -2.865952442e-01 4.60 -4.757167784e-02 -1.880323921e-01 -2.715511070e-01 4.62 -4.166596366e-02 -1.775885676e-01 -2.574098540e-01 4.64 -3.635464525e-02 -1.678499113e-01 -2.441167999e-01 4.66 -3.161161017e-02 -1.587557931e-01 -2.316060783e-01 4.68 -2.740341857e-02 -1.502419673e-01 -2.198044819e-01 4.70 -2.369159416e-02 -1.422431245e-01 -2.086351017e-01 4.72 -2.043473875e-02 -1.346948744e-01 -1.980206138e-01 4.74 -1.759022262e-02 -1.275361003e-01 -1.878861042e-01 4.76 -1.511547486e-02 -1.207103174e-01 -1.781613506e-01 4.78 -1.297031143e-02 -1.141665017e-01 -1.687825444e-01 4.80 -1.111672979e-02 -1.078603957e-01 -1.596944645e-01 4.82 -9.519382985e-03 -1.017547984e-01 -1.508510169e-01 4.84 -8.145929514e-03 -9.581994421e-02 -1.422159439e-01 4.86 -6.967169716e-03 -9.003373767e-02 -1.337632902e-01 4.88 -5.957027028e-03 -8.438171931e-02 -1.254775093e-01 4.90 -5.092422716e-03 -7.885679779e-02 -1.173531990e-01 4.92 -4.353082785e-03 -7.345873387e-02 -1.093944521e-01 4.94 -3.721306718e-03 -6.819337370e-02 -1.016138172e-01 4.96 -3.181719689e-03 -6.307164331e-02 -9.403088818e-02 4.98 -2.721023436e-03 -5.810833778e-02 -8.667057290e-02 5.00 -2.327755934e-03 -5.332076255e-02 -7.956112836e-02 5.02 -1.992066217e-03 -4.872730625e-02 -7.273208298e-02 5.04 -1.705507795e-03 -4.434603859e-02 -6.621218726e-02 5.06 -1.460852170e-03 -4.019342960e-02 -6.002753851e-02 5.08 -1.251922606e-03 -3.628327629e-02 -5.420000983e-02 5.10 -1.073447431e-03 -3.262590094e-02 -4.874608066e-02 5.12 -9.209315642e-04 -2.922765550e-02 -4.367612140e-02 5.14 -7.905447456e-04 -2.609073442e-02 -3.899413649e-02 5.16 -6.790247978e-04 -2.321326912e-02 -3.469792611e-02 5.18 -5.835942447e-04 -2.058965334e-02 -3.077959153e-02 5.20 -5.018886837e-04 -1.821103804e-02 -2.722629145e-02 5.22 -4.318954335e-04 -1.606593123e-02 -2.402115413e-02 5.24 -3.719011002e-04 -1.414083856e-02 -2.114424842e-02 5.26 -3.204468388e-04 -1.242087860e-02 -1.857352344e-02 5.28 -2.762902393e-04 -1.089011387e-02 -1.628530208e-02 5.30 -2.383728943e-04 -9.532713325e-03 -1.425599768e-02 5.32 -2.057928211e-04 -8.333064557e-03 -1.246236110e-02 5.34 -1.777810264e-04 -7.275947168e-03 -1.088170377e-02 5.36 -1.536816012e-04 -6.346812306e-03 -9.492321955e-03 5.38 -1.329348199e-04 -5.531975237e-03 -8.273789534e-03 5.40 -1.150627877e-04 -4.818734611e-03 -7.207140053e-03 5.42 -9.965725686e-05 -4.195432541e-03 -6.274959388e-03 5.44 -8.636928030e-05 -3.651468791e-03 -5.461409114e-03 5.46 -7.490042571e-05 -3.177280931e-03 -4.752198427e-03 5.48 -6.499531115e-05 -2.764300469e-03 -4.134519762e-03 5.50 -5.643526302e-05 -2.404893178e-03 -3.596960446e-03 5.52 -4.903292520e-05 -2.092290067e-03 -3.129400132e-03 5.54 -4.262767433e-05 -1.820513910e-03 -2.722898557e-03 5.56 -3.708171937e-05 -1.584304979e-03 -2.369596646e-03 5.58 -3.227678194e-05 -1.379048509e-03 -2.062589975e-03 5.60 -2.811126911e-05 -1.200705638e-03 -1.795838323e-03 5.62 -2.449786439e-05 -1.045748882e-03 -1.564066023e-03 5.64 -2.136147408e-05 -9.111027217e-04 -1.362673202e-03 5.66 -1.863747562e-05 -7.940895378e-04 -1.187654991e-03 5.68 -1.627022234e-05 -6.923808682e-04 -1.035528672e-03 5.70 -1.421176664e-05 -6.039537983e-04 -9.032684834e-04 5.72 -1.242076893e-05 -5.270521883e-04 -7.882476544e-04 5.74 -1.086156471e-05 -4.601523790e-04 -6.881871271e-04 5.76 -9.503366420e-06 -4.019329884e-04 -6.011103910e-04 5.78 -8.319580134e-06 -3.512484067e-04 -5.253038456e-04 5.80 -7.287220305e-06 -3.071056055e-04 -4.592821173e-04 5.82 -6.386408046e-06 -2.686438969e-04 -4.017577868e-04 5.84 -5.599940839e-06 -2.351173031e-04 -3.516150198e-04 5.86 -4.912923299e-06 -2.058792261e-04 -3.078866365e-04 5.88 -4.312450062e-06 -1.803691360e-04 -2.697342005e-04 5.90 -3.787333300e-06 -1.581010241e-04 -2.364307472e-04 5.92 -3.327868460e-06 -1.386533969e-04 -2.073458170e-04 5.94 -2.925632724e-06 -1.216606116e-04 -1.819324929e-04 5.96 -2.573311503e-06 -1.068053758e-04 -1.597161833e-04 5.98 -2.264548981e-06 -9.381225955e-05 -1.402849151e-04 6.00 -1.993819328e-06 -8.244208344e-05 -1.232809402e-04