# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Hf2NbTi # 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 2026-06-16 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 3.158696473e+02 3.158696473e+02 1.28 2.942651833e+02 2.942651833e+02 1.30 2.741938593e+02 2.741938593e+02 1.32 2.555384179e+02 2.555384179e+02 1.34 2.381873721e+02 2.381873721e+02 1.36 2.220414051e+02 2.220414051e+02 1.38 2.070077617e+02 2.070077617e+02 1.40 1.929965656e+02 1.929965656e+02 1.42 1.799263037e+02 1.799263037e+02 1.44 1.677288657e+02 1.677288657e+02 1.46 1.563471218e+02 1.563471218e+02 1.48 1.457269215e+02 1.457269215e+02 1.50 1.358107736e+02 1.358107736e+02 1.52 1.265396906e+02 1.265396906e+02 1.54 1.178612526e+02 1.178612527e+02 1.56 1.097327090e+02 1.097327090e+02 1.58 1.021176581e+02 1.021176581e+02 1.60 9.498093697e+01 9.498093697e+01 1.62 8.828941717e+01 8.828941717e+01 1.64 8.201316483e+01 8.201316483e+01 1.66 7.612897460e+01 7.612897460e+01 1.68 7.062194938e+01 7.062194938e+01 1.70 6.547394769e+01 6.547394769e+01 1.72 6.066721063e+01 6.066721063e+01 1.74 5.618230654e+01 5.618230654e+01 1.76 5.199857326e+01 5.199857326e+01 1.78 4.809485966e+01 4.809485966e+01 1.80 4.445002074e+01 4.445002074e+01 1.82 4.104399047e+01 4.104399047e+01 1.84 3.785964717e+01 3.785964717e+01 1.86 3.488260873e+01 3.488260873e+01 1.88 3.210014820e+01 3.210014820e+01 1.90 2.950010172e+01 2.950010172e+01 1.92 2.707029896e+01 2.707029896e+01 1.94 2.479862512e+01 2.479862512e+01 1.96 2.267366065e+01 2.267366065e+01 1.98 2.068515671e+01 2.068515671e+01 2.00 1.882376548e+01 1.882376548e+01 2.02 1.708066749e+01 1.708066749e+01 2.04 1.544728584e+01 1.544728584e+01 2.06 1.391578878e+01 1.391578878e+01 2.08 1.247946521e+01 1.247946521e+01 2.10 1.113274180e+01 1.113274180e+01 2.12 9.870944059e+00 9.870944059e+00 2.14 8.689648824e+00 8.689648824e+00 2.16 7.584654694e+00 7.584654694e+00 2.18 6.551690560e+00 6.551690560e+00 2.20 5.586555517e+00 5.586555517e+00 2.22 4.685225336e+00 4.685225336e+00 2.24 3.844050082e+00 3.844050082e+00 2.26 3.059735193e+00 3.059735193e+00 2.28 2.329359810e+00 2.329359810e+00 2.30 1.650301913e+00 1.650301913e+00 2.32 1.019602495e+00 1.019602495e+00 2.34 4.339448614e-01 4.339448614e-01 2.36 -1.101268740e-01 -1.101268740e-01 2.38 -6.160120914e-01 -6.160120914e-01 2.40 -1.086674919e+00 -1.086674919e+00 2.42 -1.524716873e+00 -1.524716873e+00 2.44 -1.932360976e+00 -1.932360976e+00 2.46 -2.311495751e+00 -2.311495751e+00 2.48 -2.663747157e+00 -2.663747157e+00 2.50 -2.990601977e+00 -2.990601977e+00 2.52 -3.293561198e+00 -3.293561198e+00 2.54 -3.574257913e+00 -3.574257913e+00 2.56 -3.834481742e+00 -3.834481742e+00 2.58 -4.076051343e+00 -4.076051343e+00 2.60 -4.300894292e+00 -4.300894292e+00 2.62 -4.510519156e+00 -4.510519156e+00 2.64 -4.706122940e+00 -4.706122940e+00 2.66 -4.888436400e+00 -4.888436400e+00 2.68 -5.057780859e+00 -5.057780859e+00 2.70 -5.214265908e+00 -5.214265908e+00 2.72 -5.358030994e+00 -5.358030994e+00 2.74 -5.489343835e+00 -5.489343835e+00 2.76 -5.608817296e+00 -5.608817296e+00 2.78 -5.717065044e+00 -5.717065044e+00 2.80 -5.813507251e+00 -5.813507251e+00 2.82 -5.897577557e+00 -5.897577557e+00 2.84 -5.970306707e+00 -5.970306707e+00 2.86 -6.032722766e+00 -6.032722766e+00 2.88 -6.085760362e+00 -6.085760362e+00 2.90 -6.130191765e+00 -6.130191765e+00 2.92 -6.166548256e+00 -6.166548256e+00 2.94 -6.195256097e+00 -6.195256097e+00 2.96 -6.216681615e+00 -6.216681615e+00 2.98 -6.231150215e+00 -6.231150215e+00 3.00 -6.238969033e+00 -6.238969033e+00 3.02 -6.241082544e+00 -6.241082544e+00 3.04 -6.237692082e+00 -6.237692082e+00 3.06 -6.228715862e+00 -6.228715862e+00 3.08 -6.214301388e+00 -6.214301388e+00 3.10 -6.194362885e+00 -6.194362885e+00 3.12 -6.168918355e+00 -6.168918355e+00 3.14 -6.138013712e+00 -6.138013712e+00 3.16 -6.101744097e+00 -6.101744097e+00 3.18 -6.060268697e+00 -6.060268697e+00 3.20 -6.013808886e+00 -6.013808886e+00 3.22 -5.962628384e+00 -5.962628384e+00 3.24 -5.907005008e+00 -5.907005008e+00 3.26 -5.847207492e+00 -5.847207492e+00 3.28 -5.783485991e+00 -5.783485991e+00 3.30 -5.716076696e+00 -5.716076696e+00 3.32 -5.645216857e+00 -5.645216857e+00 3.34 -5.571145099e+00 -5.571145099e+00 3.36 -5.494217384e+00 -5.494217384e+00 3.38 -5.414788099e+00 -5.414788099e+00 3.40 -5.333326725e+00 -5.333326725e+00 3.42 -5.250383777e+00 -5.250383777e+00 3.44 -5.166557164e+00 -5.166557164e+00 3.46 -5.082436367e+00 -5.082436367e+00 3.48 -4.998538396e+00 -4.998538396e+00 3.50 -4.915255147e+00 -4.915255147e+00 3.52 -4.832825799e+00 -4.832825799e+00 3.54 -4.751338450e+00 -4.751338450e+00 3.56 -4.670754981e+00 -4.670754981e+00 3.58 -4.590948261e+00 -4.590948261e+00 3.60 -4.511741688e+00 -4.511741688e+00 3.62 -4.432944063e+00 -4.432944063e+00 3.64 -4.354376837e+00 -4.354376837e+00 3.66 -4.275892898e+00 -4.275892898e+00 3.68 -4.197386780e+00 -4.197386780e+00 3.70 -4.118797030e+00 -4.118797030e+00 3.72 -4.040100974e+00 -4.040100974e+00 3.74 -3.961304636e+00 -3.961304636e+00 3.76 -3.882431122e+00 -3.882431122e+00 3.78 -3.803512808e+00 -3.803512808e+00 3.80 -3.724589866e+00 -3.724589866e+00 3.82 -3.645714262e+00 -3.645714262e+00 3.84 -3.566956547e+00 -3.566956547e+00 3.86 -3.488367764e+00 -3.488367764e+00 3.88 -3.410160060e+00 -3.410160060e+00 3.90 -3.332423089e+00 -3.332423089e+00 3.92 -3.255322705e+00 -3.255322705e+00 3.94 -3.179047452e+00 -3.179047452e+00 3.96 -3.103808533e+00 -3.103808533e+00 3.98 -3.029837788e+00 -3.029837788e+00 4.00 -2.957381248e+00 -2.957381248e+00 4.02 -2.886699107e+00 -2.886699107e+00 4.04 -2.817871902e+00 -2.817871902e+00 4.06 -2.751390850e+00 -2.751390850e+00 4.08 -2.687246309e+00 -2.687246309e+00 4.10 -2.625523761e+00 -2.625523761e+00 4.12 -2.566243139e+00 -2.566243139e+00 4.14 -2.509364212e+00 -2.509364212e+00 4.16 -2.454797830e+00 -2.454797830e+00 4.18 -2.402419967e+00 -2.402419967e+00 4.20 -2.352085592e+00 -2.352085592e+00 4.22 -2.303640323e+00 -2.303640323e+00 4.24 -2.256928882e+00 -2.256928882e+00 4.26 -2.211800319e+00 -2.211800319e+00 4.28 -2.168110547e+00 -2.168110547e+00 4.30 -2.125723247e+00 -2.125723247e+00 4.32 -2.084510209e+00 -2.084510209e+00 4.34 -2.044352031e+00 -2.044352031e+00 4.36 -2.005139639e+00 -2.005139639e+00 4.38 -1.966776553e+00 -1.966776553e+00 4.40 -1.929181178e+00 -1.929181178e+00 4.42 -1.892288288e+00 -1.892288288e+00 4.44 -1.856049096e+00 -1.856049096e+00 4.46 -1.820429794e+00 -1.820429794e+00 4.48 -1.785408785e+00 -1.785408785e+00 4.50 -1.750973422e+00 -1.750973422e+00 4.52 -1.717116852e+00 -1.717116852e+00 4.54 -1.683835374e+00 -1.683835374e+00 4.56 -1.651126490e+00 -1.651126490e+00 4.58 -1.618987659e+00 -1.618987659e+00 4.60 -1.587415596e+00 -1.587415596e+00 4.62 -1.556405971e+00 -1.556405971e+00 4.64 -1.525953343e+00 -1.525953343e+00 4.66 -1.496051233e+00 -1.496051233e+00 4.68 -1.466692249e+00 -1.466692249e+00 4.70 -1.437868265e+00 -1.437868265e+00 4.72 -1.409482434e+00 -1.409482434e+00 4.74 -1.381716877e+00 -1.381716877e+00 4.76 -1.354455402e+00 -1.354455402e+00 4.78 -1.327688206e+00 -1.327688206e+00 4.80 -1.301404934e+00 -1.301404934e+00 4.82 -1.275594675e+00 -1.275594675e+00 4.84 -1.250245944e+00 -1.250245944e+00 4.86 -1.225346639e+00 -1.225346639e+00 4.88 -1.200883977e+00 -1.200883977e+00 4.90 -1.176844438e+00 -1.176844438e+00 4.92 -1.153213689e+00 -1.153213689e+00 4.94 -1.129976528e+00 -1.129976528e+00 4.96 -1.107116841e+00 -1.107116841e+00 4.98 -1.084617598e+00 -1.084617598e+00 5.00 -1.062460895e+00 -1.062460895e+00 5.02 -1.040628087e+00 -1.040628087e+00 5.04 -1.019100014e+00 -1.019100014e+00 5.06 -9.978573608e-01 -9.978573608e-01 5.08 -9.768811901e-01 -9.768811901e-01 5.10 -9.561536219e-01 -9.561536219e-01 5.12 -9.356587143e-01 -9.356587143e-01 5.14 -9.153834318e-01 -9.153834318e-01 5.16 -8.953187175e-01 -8.953187175e-01 5.18 -8.754604196e-01 -8.754604196e-01 5.20 -8.558100417e-01 -8.558100417e-01 5.22 -8.363749670e-01 -8.363749670e-01 5.24 -8.171681327e-01 -8.171681327e-01 5.26 -7.982069211e-01 -7.982069211e-01 5.28 -7.795113696e-01 -7.795113696e-01 5.30 -7.611018439e-01 -7.611018439e-01 5.32 -7.429964327e-01 -7.429964327e-01 5.34 -7.252085627e-01 -7.252085627e-01 5.36 -7.077450371e-01 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-3.407185475e-01 -3.407185475e-01 5.90 -3.305560414e-01 -3.305560414e-01 5.92 -3.206530751e-01 -3.206530751e-01 5.94 -3.109809530e-01 -3.109809530e-01 5.96 -3.015132589e-01 -3.015132589e-01 5.98 -2.922255519e-01 -2.922255519e-01 6.00 -2.831002655e-01 -2.831002655e-01