# 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 = MoNb2Ti # 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 3.827653075e+03 3.827653075e+03 1.08 3.364756549e+03 3.364756549e+03 1.10 2.959077396e+03 2.959077396e+03 1.12 2.603208412e+03 2.603208412e+03 1.14 2.290435865e+03 2.290435865e+03 1.16 2.015349635e+03 2.015349635e+03 1.18 1.773649341e+03 1.773649341e+03 1.20 1.560950518e+03 1.560950518e+03 1.22 1.373847835e+03 1.373847835e+03 1.24 1.209292834e+03 1.209292834e+03 1.26 1.064655331e+03 1.064655331e+03 1.28 9.374170375e+02 9.374170375e+02 1.30 8.253315483e+02 8.253315483e+02 1.32 7.267267964e+02 7.267267964e+02 1.34 6.399401224e+02 6.399401224e+02 1.36 5.634718498e+02 5.634718498e+02 1.38 4.962749333e+02 4.962749333e+02 1.40 4.371293084e+02 4.371293084e+02 1.42 3.849068237e+02 3.849068237e+02 1.44 3.387904232e+02 3.387904232e+02 1.46 2.980347460e+02 2.980347460e+02 1.48 2.623169896e+02 2.623169896e+02 1.50 2.308130370e+02 2.308130370e+02 1.52 2.030209759e+02 2.030209759e+02 1.54 1.785311040e+02 1.785311040e+02 1.56 1.569863954e+02 1.569863954e+02 1.58 1.380200156e+02 1.380200156e+02 1.60 1.212743030e+02 1.212743030e+02 1.62 1.065174616e+02 1.065174616e+02 1.64 9.355322300e+01 9.355322300e+01 1.66 8.211920867e+01 8.211920867e+01 1.68 7.196554782e+01 7.196554782e+01 1.70 6.301350163e+01 6.301350163e+01 1.72 5.522166422e+01 5.522166422e+01 1.74 4.842308222e+01 4.842308222e+01 1.76 4.244222801e+01 4.244222801e+01 1.78 3.718802580e+01 3.718802580e+01 1.80 3.258102096e+01 3.258102096e+01 1.82 2.849585965e+01 2.849585965e+01 1.84 2.487852849e+01 2.487852849e+01 1.86 2.168713446e+01 2.168713446e+01 1.88 1.886583717e+01 1.886583717e+01 1.90 1.637158286e+01 1.637158286e+01 1.92 1.417062248e+01 1.417062248e+01 1.94 1.226506979e+01 1.226506979e+01 1.96 1.059524219e+01 1.059524219e+01 1.98 9.107609827e+00 9.107609827e+00 2.00 7.774926892e+00 7.774926892e+00 2.02 6.530622467e+00 6.530622467e+00 2.04 5.499364278e+00 5.499364278e+00 2.06 4.594977965e+00 4.594977965e+00 2.08 3.787685612e+00 3.787685612e+00 2.10 3.102396074e+00 3.102396074e+00 2.12 2.534037966e+00 2.534037966e+00 2.14 2.041036739e+00 2.041036739e+00 2.16 1.574762785e+00 1.574762785e+00 2.18 1.026320603e+00 1.026320603e+00 2.20 3.656136173e-01 3.656136173e-01 2.22 -3.820292092e-01 -3.820292092e-01 2.24 -9.800472923e-01 -9.800472923e-01 2.26 -1.513805636e+00 -1.513805636e+00 2.28 -1.999221996e+00 -1.999221996e+00 2.30 -2.426574921e+00 -2.426574921e+00 2.32 -2.790279677e+00 -2.790279677e+00 2.34 -3.112180578e+00 -3.112180578e+00 2.36 -3.423582309e+00 -3.423582309e+00 2.38 -3.735804846e+00 -3.735804846e+00 2.40 -4.033053388e+00 -4.033053388e+00 2.42 -4.307659659e+00 -4.307659659e+00 2.44 -4.561793901e+00 -4.561793901e+00 2.46 -4.797758300e+00 -4.797758300e+00 2.48 -5.017407567e+00 -5.017407567e+00 2.50 -5.220003347e+00 -5.220003347e+00 2.52 -5.419558735e+00 -5.419558735e+00 2.54 -5.617026658e+00 -5.617026658e+00 2.56 -5.797944198e+00 -5.797944198e+00 2.58 -5.959233485e+00 -5.959233485e+00 2.60 -6.104857087e+00 -6.104857087e+00 2.62 -6.237894867e+00 -6.237894867e+00 2.64 -6.354611230e+00 -6.354611230e+00 2.66 -6.457582710e+00 -6.457582710e+00 2.68 -6.546386095e+00 -6.546386095e+00 2.70 -6.616318602e+00 -6.616318602e+00 2.72 -6.669837251e+00 -6.669837251e+00 2.74 -6.712373549e+00 -6.712373549e+00 2.76 -6.745564260e+00 -6.745564260e+00 2.78 -6.771409243e+00 -6.771409243e+00 2.80 -6.790692749e+00 -6.790692749e+00 2.82 -6.804649044e+00 -6.804649044e+00 2.84 -6.812763428e+00 -6.812763428e+00 2.86 -6.811234455e+00 -6.811234455e+00 2.88 -6.799134211e+00 -6.799134211e+00 2.90 -6.777906630e+00 -6.777906630e+00 2.92 -6.752578568e+00 -6.752578568e+00 2.94 -6.720020416e+00 -6.720020416e+00 2.96 -6.676457862e+00 -6.676457862e+00 2.98 -6.626089752e+00 -6.626089752e+00 3.00 -6.569521981e+00 -6.569521981e+00 3.02 -6.505912911e+00 -6.505912911e+00 3.04 -6.432489861e+00 -6.432489861e+00 3.06 -6.348093838e+00 -6.348093838e+00 3.08 -6.257130584e+00 -6.257130584e+00 3.10 -6.164622688e+00 -6.164622688e+00 3.12 -6.067070059e+00 -6.067070059e+00 3.14 -5.960543053e+00 -5.960543053e+00 3.16 -5.844228055e+00 -5.844228055e+00 3.18 -5.717263948e+00 -5.717263948e+00 3.20 -5.591560752e+00 -5.591560752e+00 3.22 -5.487931146e+00 -5.487931146e+00 3.24 -5.427232625e+00 -5.427232625e+00 3.26 -5.391024293e+00 -5.391024293e+00 3.28 -5.358418622e+00 -5.358418622e+00 3.30 -5.322871199e+00 -5.322871199e+00 3.32 -5.278793074e+00 -5.278793074e+00 3.34 -5.223088123e+00 -5.223088123e+00 3.36 -5.155675092e+00 -5.155675092e+00 3.38 -5.075976634e+00 -5.075976634e+00 3.40 -4.981053373e+00 -4.981053373e+00 3.42 -4.873362825e+00 -4.873362825e+00 3.44 -4.757099934e+00 -4.757099934e+00 3.46 -4.627875745e+00 -4.627875745e+00 3.48 -4.492945129e+00 -4.492945129e+00 3.50 -4.362867129e+00 -4.362867129e+00 3.52 -4.243086253e+00 -4.243086253e+00 3.54 -4.138278093e+00 -4.138278093e+00 3.56 -4.049006630e+00 -4.049006630e+00 3.58 -3.972116191e+00 -3.972116191e+00 3.60 -3.903226270e+00 -3.903226270e+00 3.62 -3.837957894e+00 -3.837957894e+00 3.64 -3.772109775e+00 -3.772109775e+00 3.66 -3.704467682e+00 -3.704467682e+00 3.68 -3.634719563e+00 -3.634719563e+00 3.70 -3.561306648e+00 -3.561306648e+00 3.72 -3.482713275e+00 -3.482713275e+00 3.74 -3.400986772e+00 -3.400986772e+00 3.76 -3.322321084e+00 -3.322321084e+00 3.78 -3.252000823e+00 -3.252000823e+00 3.80 -3.194539854e+00 -3.194539854e+00 3.82 -3.137970184e+00 -3.137970184e+00 3.84 -3.075898862e+00 -3.075898862e+00 3.86 -3.007711893e+00 -3.007711893e+00 3.88 -2.932737225e+00 -2.932737225e+00 3.90 -2.850161234e+00 -2.850161234e+00 3.92 -2.759660864e+00 -2.759660864e+00 3.94 -2.661919468e+00 -2.661919468e+00 3.96 -2.557381960e+00 -2.557381960e+00 3.98 -2.446161187e+00 -2.446161187e+00 4.00 -2.334684343e+00 -2.334684343e+00 4.02 -2.231239536e+00 -2.231239536e+00 4.04 -2.137799324e+00 -2.137799324e+00 4.06 -2.054678365e+00 -2.054678365e+00 4.08 -1.982561847e+00 -1.982561847e+00 4.10 -1.920627969e+00 -1.920627969e+00 4.12 -1.868512653e+00 -1.868512653e+00 4.14 -1.825608117e+00 -1.825608117e+00 4.16 -1.790494196e+00 -1.790494196e+00 4.18 -1.761104062e+00 -1.761104062e+00 4.20 -1.735380968e+00 -1.735380968e+00 4.22 -1.713523762e+00 -1.713523762e+00 4.24 -1.695640308e+00 -1.695640308e+00 4.26 -1.681120315e+00 -1.681120315e+00 4.28 -1.669345094e+00 -1.669345094e+00 4.30 -1.659618066e+00 -1.659618066e+00 4.32 -1.651185674e+00 -1.651185674e+00 4.34 -1.643371811e+00 -1.643371811e+00 4.36 -1.636253194e+00 -1.636253194e+00 4.38 -1.630175658e+00 -1.630175658e+00 4.40 -1.625469166e+00 -1.625469166e+00 4.42 -1.622441020e+00 -1.622441020e+00 4.44 -1.621372847e+00 -1.621372847e+00 4.46 -1.622141089e+00 -1.622141089e+00 4.48 -1.623761473e+00 -1.623761473e+00 4.50 -1.625341545e+00 -1.625341545e+00 4.52 -1.626021876e+00 -1.626021876e+00 4.54 -1.624960917e+00 -1.624960917e+00 4.56 -1.621345606e+00 -1.621345606e+00 4.58 -1.614569253e+00 -1.614569253e+00 4.60 -1.604345515e+00 -1.604345515e+00 4.62 -1.590477017e+00 -1.590477017e+00 4.64 -1.572802455e+00 -1.572802455e+00 4.66 -1.551153496e+00 -1.551153496e+00 4.68 -1.525326543e+00 -1.525326543e+00 4.70 -1.495338457e+00 -1.495338457e+00 4.72 -1.461396248e+00 -1.461396248e+00 4.74 -1.423767334e+00 -1.423767334e+00 4.76 -1.383581560e+00 -1.383581560e+00 4.78 -1.342278905e+00 -1.342278905e+00 4.80 -1.301170744e+00 -1.301170744e+00 4.82 -1.261284622e+00 -1.261284622e+00 4.84 -1.223713230e+00 -1.223713230e+00 4.86 -1.189743224e+00 -1.189743224e+00 4.88 -1.160059673e+00 -1.160059673e+00 4.90 -1.133762952e+00 -1.133762952e+00 4.92 -1.109594302e+00 -1.109594302e+00 4.94 -1.086478399e+00 -1.086478399e+00 4.96 -1.063643468e+00 -1.063643468e+00 4.98 -1.040700492e+00 -1.040700492e+00 5.00 -1.017777779e+00 -1.017777779e+00 5.02 -9.965830511e-01 -9.965830511e-01 5.04 -9.796538941e-01 -9.796538941e-01 5.06 -9.672082120e-01 -9.672082120e-01 5.08 -9.585326204e-01 -9.585326204e-01 5.10 -9.527118366e-01 -9.527118366e-01 5.12 -9.488193457e-01 -9.488193457e-01 5.14 -9.458161450e-01 -9.458161450e-01 5.16 -9.420867967e-01 -9.420867967e-01 5.18 -9.367442197e-01 -9.367442197e-01 5.20 -9.290230756e-01 -9.290230756e-01 5.22 -9.181649129e-01 -9.181649129e-01 5.24 -9.034541580e-01 -9.034541580e-01 5.26 -8.842735504e-01 -8.842735504e-01 5.28 -8.614692762e-01 -8.614692762e-01 5.30 -8.376537723e-01 -8.376537723e-01 5.32 -8.157080301e-01 -8.157080301e-01 5.34 -7.986201614e-01 -7.986201614e-01 5.36 -7.893853861e-01 -7.893853861e-01 5.38 -7.877363701e-01 -7.877363701e-01 5.40 -7.837863333e-01 -7.837863333e-01 5.42 -7.764178593e-01 -7.764178593e-01 5.44 -7.657818474e-01 -7.657818474e-01 5.46 -7.520213514e-01 -7.520213514e-01 5.48 -7.352673166e-01 -7.352673166e-01 5.50 -7.156635931e-01 -7.156635931e-01 5.52 -6.933892679e-01 -6.933892679e-01 5.54 -6.687121061e-01 -6.687121061e-01 5.56 -6.423773108e-01 -6.423773108e-01 5.58 -6.155179423e-01 -6.155179423e-01 5.60 -5.894203177e-01 -5.894203177e-01 5.62 -5.654912389e-01 -5.654912389e-01 5.64 -5.452032483e-01 -5.452032483e-01 5.66 -5.300124794e-01 -5.300124794e-01 5.68 -5.208659785e-01 -5.208659785e-01 5.70 -5.168146193e-01 -5.168146193e-01 5.72 -5.163668482e-01 -5.163668482e-01 5.74 -5.181141750e-01 -5.181141750e-01 5.76 -5.207994269e-01 -5.207994269e-01 5.78 -5.233130555e-01 -5.233130555e-01 5.80 -5.246290810e-01 -5.246290810e-01 5.82 -5.242129531e-01 -5.242129531e-01 5.84 -5.224408143e-01 -5.224408143e-01 5.86 -5.197592878e-01 -5.197592878e-01 5.88 -5.166609560e-01 -5.166609560e-01 5.90 -5.137376563e-01 -5.137376563e-01 5.92 -5.116865603e-01 -5.116865603e-01 5.94 -5.111811038e-01 -5.111811038e-01 5.96 -5.112323065e-01 -5.112323065e-01 5.98 -5.093264015e-01 -5.093264015e-01 6.00 -5.028916574e-01 -5.028916574e-01