# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo2NbTa # 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 2025-12-17 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 8.673348163e+02 8.673348163e+02 1.08 7.864772822e+02 7.864772822e+02 1.10 7.138058063e+02 7.138058063e+02 1.12 6.484844050e+02 6.484844050e+02 1.14 5.891457029e+02 5.891457029e+02 1.16 5.349034947e+02 5.349034947e+02 1.18 4.857611896e+02 4.857611896e+02 1.20 4.410366542e+02 4.410366542e+02 1.22 4.004623621e+02 4.004623621e+02 1.24 3.638441309e+02 3.638441309e+02 1.26 3.308000745e+02 3.308000745e+02 1.28 3.008513186e+02 3.008513186e+02 1.30 2.736052592e+02 2.736052592e+02 1.32 2.490544511e+02 2.490544511e+02 1.34 2.268465696e+02 2.268465696e+02 1.36 2.065088682e+02 2.065088682e+02 1.38 1.879667218e+02 1.879667218e+02 1.40 1.710804667e+02 1.710804667e+02 1.42 1.556662546e+02 1.556662546e+02 1.44 1.417111406e+02 1.417111406e+02 1.46 1.290105209e+02 1.290105209e+02 1.48 1.174351567e+02 1.174351567e+02 1.50 1.069084125e+02 1.069084125e+02 1.52 9.724901890e+01 9.724901890e+01 1.54 8.841922347e+01 8.841922347e+01 1.56 8.038786971e+01 8.038786971e+01 1.58 7.298045912e+01 7.298045912e+01 1.60 6.621013401e+01 6.621013401e+01 1.62 6.002497575e+01 6.002497575e+01 1.64 5.438964384e+01 5.438964384e+01 1.66 4.921316417e+01 4.921316417e+01 1.68 4.443707289e+01 4.443707289e+01 1.70 4.010975331e+01 4.010975331e+01 1.72 3.626839065e+01 3.626839065e+01 1.74 3.283368180e+01 3.283368180e+01 1.76 2.970661996e+01 2.970661996e+01 1.78 2.687415914e+01 2.687415914e+01 1.80 2.435289444e+01 2.435289444e+01 1.82 2.206427906e+01 2.206427906e+01 1.84 2.000244959e+01 2.000244959e+01 1.86 1.815134358e+01 1.815134358e+01 1.88 1.648033325e+01 1.648033325e+01 1.90 1.497336480e+01 1.497336480e+01 1.92 1.360061565e+01 1.360061565e+01 1.94 1.238376775e+01 1.238376775e+01 1.96 1.127619685e+01 1.127619685e+01 1.98 1.022467217e+01 1.022467217e+01 2.00 9.205820675e+00 9.205820675e+00 2.02 8.169139578e+00 8.169139578e+00 2.04 7.241121594e+00 7.241121594e+00 2.06 6.366802335e+00 6.366802335e+00 2.08 5.523637250e+00 5.523637250e+00 2.10 4.731456196e+00 4.731456196e+00 2.12 4.046316801e+00 4.046316801e+00 2.14 3.361534829e+00 3.361534829e+00 2.16 2.714040645e+00 2.714040645e+00 2.18 2.094552576e+00 2.094552576e+00 2.20 1.513691055e+00 1.513691055e+00 2.22 9.702007492e-01 9.702007492e-01 2.24 2.862502373e-01 2.862502373e-01 2.26 -4.702308704e-01 -4.702308704e-01 2.28 -1.151756706e+00 -1.151756706e+00 2.30 -1.741023295e+00 -1.741023295e+00 2.32 -2.315087050e+00 -2.315087050e+00 2.34 -2.845210310e+00 -2.845210310e+00 2.36 -3.347344340e+00 -3.347344340e+00 2.38 -3.811182211e+00 -3.811182211e+00 2.40 -4.214155584e+00 -4.214155584e+00 2.42 -4.567650113e+00 -4.567650113e+00 2.44 -4.887099591e+00 -4.887099591e+00 2.46 -5.173440895e+00 -5.173440895e+00 2.48 -5.429736866e+00 -5.429736866e+00 2.50 -5.657607925e+00 -5.657607925e+00 2.52 -5.865183506e+00 -5.865183506e+00 2.54 -6.060115317e+00 -6.060115317e+00 2.56 -6.252483684e+00 -6.252483684e+00 2.58 -6.434750590e+00 -6.434750590e+00 2.60 -6.604215448e+00 -6.604215448e+00 2.62 -6.769192618e+00 -6.769192618e+00 2.64 -6.921603349e+00 -6.921603349e+00 2.66 -7.062303016e+00 -7.062303016e+00 2.68 -7.191013693e+00 -7.191013693e+00 2.70 -7.299082430e+00 -7.299082430e+00 2.72 -7.382580105e+00 -7.382580105e+00 2.74 -7.440892674e+00 -7.440892674e+00 2.76 -7.476610544e+00 -7.476610544e+00 2.78 -7.493041747e+00 -7.493041747e+00 2.80 -7.489173387e+00 -7.489173387e+00 2.82 -7.466688465e+00 -7.466688465e+00 2.84 -7.431202179e+00 -7.431202179e+00 2.86 -7.387124122e+00 -7.387124122e+00 2.88 -7.334768891e+00 -7.334768891e+00 2.90 -7.271099897e+00 -7.271099897e+00 2.92 -7.195735086e+00 -7.195735086e+00 2.94 -7.113809987e+00 -7.113809987e+00 2.96 -7.033694387e+00 -7.033694387e+00 2.98 -6.961026116e+00 -6.961026116e+00 3.00 -6.891480129e+00 -6.891480129e+00 3.02 -6.817145651e+00 -6.817145651e+00 3.04 -6.730077875e+00 -6.730077875e+00 3.06 -6.627711626e+00 -6.627711626e+00 3.08 -6.516142713e+00 -6.516142713e+00 3.10 -6.406755330e+00 -6.406755330e+00 3.12 -6.296532473e+00 -6.296532473e+00 3.14 -6.174871355e+00 -6.174871355e+00 3.16 -6.039323664e+00 -6.039323664e+00 3.18 -5.886043604e+00 -5.886043604e+00 3.20 -5.727580710e+00 -5.727580710e+00 3.22 -5.592361712e+00 -5.592361712e+00 3.24 -5.512294917e+00 -5.512294917e+00 3.26 -5.458265670e+00 -5.458265670e+00 3.28 -5.400979684e+00 -5.400979684e+00 3.30 -5.336137799e+00 -5.336137799e+00 3.32 -5.262019932e+00 -5.262019932e+00 3.34 -5.178510907e+00 -5.178510907e+00 3.36 -5.085716550e+00 -5.085716550e+00 3.38 -4.983528499e+00 -4.983528499e+00 3.40 -4.872841389e+00 -4.872841389e+00 3.42 -4.757278250e+00 -4.757278250e+00 3.44 -4.643008477e+00 -4.643008477e+00 3.46 -4.539281432e+00 -4.539281432e+00 3.48 -4.444727963e+00 -4.444727963e+00 3.50 -4.345931213e+00 -4.345931213e+00 3.52 -4.244600874e+00 -4.244600874e+00 3.54 -4.150009512e+00 -4.150009512e+00 3.56 -4.062599868e+00 -4.062599868e+00 3.58 -3.980692339e+00 -3.980692339e+00 3.60 -3.902763792e+00 -3.902763792e+00 3.62 -3.828064111e+00 -3.828064111e+00 3.64 -3.756618760e+00 -3.756618760e+00 3.66 -3.687372830e+00 -3.687372830e+00 3.68 -3.616056273e+00 -3.616056273e+00 3.70 -3.537311565e+00 -3.537311565e+00 3.72 -3.445902519e+00 -3.445902519e+00 3.74 -3.344124295e+00 -3.344124295e+00 3.76 -3.244477438e+00 -3.244477438e+00 3.78 -3.159197044e+00 -3.159197044e+00 3.80 -3.099555614e+00 -3.099555614e+00 3.82 -3.044559352e+00 -3.044559352e+00 3.84 -2.982291514e+00 -2.982291514e+00 3.86 -2.912659550e+00 -2.912659550e+00 3.88 -2.835685279e+00 -2.835685279e+00 3.90 -2.751368500e+00 -2.751368500e+00 3.92 -2.659374206e+00 -2.659374206e+00 3.94 -2.559917335e+00 -2.559917335e+00 3.96 -2.455120968e+00 -2.455120968e+00 3.98 -2.347484756e+00 -2.347484756e+00 4.00 -2.239156725e+00 -2.239156725e+00 4.02 -2.132721311e+00 -2.132721311e+00 4.04 -2.032816160e+00 -2.032816160e+00 4.06 -1.944750386e+00 -1.944750386e+00 4.08 -1.870634351e+00 -1.870634351e+00 4.10 -1.808092893e+00 -1.808092893e+00 4.12 -1.754827337e+00 -1.754827337e+00 4.14 -1.709387460e+00 -1.709387460e+00 4.16 -1.670786707e+00 -1.670786707e+00 4.18 -1.638450730e+00 -1.638450730e+00 4.20 -1.612157264e+00 -1.612157264e+00 4.22 -1.592257620e+00 -1.592257620e+00 4.24 -1.578191293e+00 -1.578191293e+00 4.26 -1.568576922e+00 -1.568576922e+00 4.28 -1.561916583e+00 -1.561916583e+00 4.30 -1.556608535e+00 -1.556608535e+00 4.32 -1.550952898e+00 -1.550952898e+00 4.34 -1.543482200e+00 -1.543482200e+00 4.36 -1.534357636e+00 -1.534357636e+00 4.38 -1.524293602e+00 -1.524293602e+00 4.40 -1.514100217e+00 -1.514100217e+00 4.42 -1.504773739e+00 -1.504773739e+00 4.44 -1.497380046e+00 -1.497380046e+00 4.46 -1.492323635e+00 -1.492323635e+00 4.48 -1.488493660e+00 -1.488493660e+00 4.50 -1.484946227e+00 -1.484946227e+00 4.52 -1.480762097e+00 -1.480762097e+00 4.54 -1.475029135e+00 -1.475029135e+00 4.56 -1.466882352e+00 -1.466882352e+00 4.58 -1.455932705e+00 -1.455932705e+00 4.60 -1.442522857e+00 -1.442522857e+00 4.62 -1.427095816e+00 -1.427095816e+00 4.64 -1.410081795e+00 -1.410081795e+00 4.66 -1.391816379e+00 -1.391816379e+00 4.68 -1.371983391e+00 -1.371983391e+00 4.70 -1.349043850e+00 -1.349043850e+00 4.72 -1.321857519e+00 -1.321857519e+00 4.74 -1.290242337e+00 -1.290242337e+00 4.76 -1.255420862e+00 -1.255420862e+00 4.78 -1.219323084e+00 -1.219323084e+00 4.80 -1.184178949e+00 -1.184178949e+00 4.82 -1.152300138e+00 -1.152300138e+00 4.84 -1.125755510e+00 -1.125755510e+00 4.86 -1.106241601e+00 -1.106241601e+00 4.88 -1.094276322e+00 -1.094276322e+00 4.90 -1.088499568e+00 -1.088499568e+00 4.92 -1.087323642e+00 -1.087323642e+00 4.94 -1.088628510e+00 -1.088628510e+00 4.96 -1.090150926e+00 -1.090150926e+00 4.98 -1.089710821e+00 -1.089710821e+00 5.00 -1.085251067e+00 -1.085251067e+00 5.02 -1.076106712e+00 -1.076106712e+00 5.04 -1.062923461e+00 -1.062923461e+00 5.06 -1.046822031e+00 -1.046822031e+00 5.08 -1.029058947e+00 -1.029058947e+00 5.10 -1.010931121e+00 -1.010931121e+00 5.12 -9.937570537e-01 -9.937570537e-01 5.14 -9.786682993e-01 -9.786682993e-01 5.16 -9.652714180e-01 -9.652714180e-01 5.18 -9.521795701e-01 -9.521795701e-01 5.20 -9.379320813e-01 -9.379320813e-01 5.22 -9.210501998e-01 -9.210501998e-01 5.24 -9.000402179e-01 -9.000402179e-01 5.26 -8.734499618e-01 -8.734499618e-01 5.28 -8.417850995e-01 -8.417850995e-01 5.30 -8.081358481e-01 -8.081358481e-01 5.32 -7.758873424e-01 -7.758873424e-01 5.34 -7.485307488e-01 -7.485307488e-01 5.36 -7.295961724e-01 -7.295961724e-01 5.38 -7.194037234e-01 -7.194037234e-01 5.40 -7.085175940e-01 -7.085175940e-01 5.42 -6.960877715e-01 -6.960877715e-01 5.44 -6.823602809e-01 -6.823602809e-01 5.46 -6.675564352e-01 -6.675564352e-01 5.48 -6.518737393e-01 -6.518737393e-01 5.50 -6.354998962e-01 -6.354998962e-01 5.52 -6.186257863e-01 -6.186257863e-01 5.54 -6.014780796e-01 -6.014780796e-01 5.56 -5.845632452e-01 -5.845632452e-01 5.58 -5.686668588e-01 -5.686668588e-01 5.60 -5.547250715e-01 -5.547250715e-01 5.62 -5.437784105e-01 -5.437784105e-01 5.64 -5.368789424e-01 -5.368789424e-01 5.66 -5.349486402e-01 -5.349486402e-01 5.68 -5.382609722e-01 -5.382609722e-01 5.70 -5.452521887e-01 -5.452521887e-01 5.72 -5.540276385e-01 -5.540276385e-01 5.74 -5.630414340e-01 -5.630414340e-01 5.76 -5.711300049e-01 -5.711300049e-01 5.78 -5.774266132e-01 -5.774266132e-01 5.80 -5.812049019e-01 -5.812049019e-01 5.82 -5.821002302e-01 -5.821002302e-01 5.84 -5.804115715e-01 -5.804115715e-01 5.86 -5.763972409e-01 -5.763972409e-01 5.88 -5.702748359e-01 -5.702748359e-01 5.90 -5.623190893e-01 -5.623190893e-01 5.92 -5.529294446e-01 -5.529294446e-01 5.94 -5.426221537e-01 -5.426221537e-01 5.96 -5.311731117e-01 -5.311731117e-01 5.98 -5.174452085e-01 -5.174452085e-01 6.00 -5.000879365e-01 -5.000879365e-01