# 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 = NbTaW2 # 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 3.698867971e+02 3.698867971e+02 1.08 3.423167763e+02 3.423167763e+02 1.10 3.165585560e+02 3.165585560e+02 1.12 2.929959157e+02 2.929959157e+02 1.14 2.716316994e+02 2.716316994e+02 1.16 2.526574140e+02 2.526574140e+02 1.18 2.352897042e+02 2.352897042e+02 1.20 2.186413513e+02 2.186413513e+02 1.22 2.037472328e+02 2.037472328e+02 1.24 1.903758037e+02 1.903758037e+02 1.26 1.778206324e+02 1.778206324e+02 1.28 1.665596030e+02 1.665596030e+02 1.30 1.564066065e+02 1.564066065e+02 1.32 1.467632932e+02 1.467632932e+02 1.34 1.377027874e+02 1.377027874e+02 1.36 1.293390066e+02 1.293390066e+02 1.38 1.220775416e+02 1.220775416e+02 1.40 1.153354414e+02 1.153354414e+02 1.42 1.085371658e+02 1.085371658e+02 1.44 1.019730626e+02 1.019730626e+02 1.46 9.584988836e+01 9.584988836e+01 1.48 9.045638665e+01 9.045638665e+01 1.50 8.550466933e+01 8.550466933e+01 1.52 8.048047829e+01 8.048047829e+01 1.54 7.563010132e+01 7.563010132e+01 1.56 7.096269894e+01 7.096269894e+01 1.58 6.650315858e+01 6.650315858e+01 1.60 6.234216511e+01 6.234216511e+01 1.62 5.851635812e+01 5.851635812e+01 1.64 5.481554142e+01 5.481554142e+01 1.66 5.125172328e+01 5.125172328e+01 1.68 4.797078900e+01 4.797078900e+01 1.70 4.490056773e+01 4.490056773e+01 1.72 4.190303994e+01 4.190303994e+01 1.74 3.886006441e+01 3.886006441e+01 1.76 3.600198679e+01 3.600198679e+01 1.78 3.344453424e+01 3.344453424e+01 1.80 3.119536487e+01 3.119536487e+01 1.82 2.894705372e+01 2.894705372e+01 1.84 2.676279520e+01 2.676279520e+01 1.86 2.475702590e+01 2.475702590e+01 1.88 2.290338070e+01 2.290338070e+01 1.90 2.116861868e+01 2.116861868e+01 1.92 1.948508710e+01 1.948508710e+01 1.94 1.785819190e+01 1.785819190e+01 1.96 1.625949404e+01 1.625949404e+01 1.98 1.473426472e+01 1.473426472e+01 2.00 1.333747673e+01 1.333747673e+01 2.02 1.210881670e+01 1.210881670e+01 2.04 1.104142165e+01 1.104142165e+01 2.06 9.974537217e+00 9.974537217e+00 2.08 8.780525771e+00 8.780525771e+00 2.10 7.590460071e+00 7.590460071e+00 2.12 6.442902244e+00 6.442902244e+00 2.14 5.355040875e+00 5.355040875e+00 2.16 4.334252372e+00 4.334252372e+00 2.18 3.416028708e+00 3.416028708e+00 2.20 2.498635544e+00 2.498635544e+00 2.22 1.644431863e+00 1.644431863e+00 2.24 8.665940531e-01 8.665940531e-01 2.26 1.735717726e-01 1.735717726e-01 2.28 -4.410006870e-01 -4.410006870e-01 2.30 -1.000142873e+00 -1.000142873e+00 2.32 -1.527416645e+00 -1.527416645e+00 2.34 -2.153293714e+00 -2.153293714e+00 2.36 -3.007058262e+00 -3.007058262e+00 2.38 -3.907807810e+00 -3.907807810e+00 2.40 -4.620036025e+00 -4.620036025e+00 2.42 -5.124571289e+00 -5.124571289e+00 2.44 -5.472527409e+00 -5.472527409e+00 2.46 -5.770577916e+00 -5.770577916e+00 2.48 -6.091233281e+00 -6.091233281e+00 2.50 -6.387254970e+00 -6.387254970e+00 2.52 -6.667190078e+00 -6.667190078e+00 2.54 -6.945479797e+00 -6.945479797e+00 2.56 -7.238039633e+00 -7.238039633e+00 2.58 -7.525383132e+00 -7.525383132e+00 2.60 -7.753687721e+00 -7.753687721e+00 2.62 -7.943514609e+00 -7.943514609e+00 2.64 -8.078975494e+00 -8.078975494e+00 2.66 -8.169905069e+00 -8.169905069e+00 2.68 -8.233819356e+00 -8.233819356e+00 2.70 -8.293363950e+00 -8.293363950e+00 2.72 -8.343120099e+00 -8.343120099e+00 2.74 -8.385070640e+00 -8.385070640e+00 2.76 -8.414089975e+00 -8.414089975e+00 2.78 -8.428529109e+00 -8.428529109e+00 2.80 -8.427444168e+00 -8.427444168e+00 2.82 -8.410794392e+00 -8.410794392e+00 2.84 -8.382068954e+00 -8.382068954e+00 2.86 -8.341381851e+00 -8.341381851e+00 2.88 -8.288015439e+00 -8.288015439e+00 2.90 -8.228634011e+00 -8.228634011e+00 2.92 -8.166715026e+00 -8.166715026e+00 2.94 -8.098097842e+00 -8.098097842e+00 2.96 -8.018956883e+00 -8.018956883e+00 2.98 -7.926254361e+00 -7.926254361e+00 3.00 -7.832007745e+00 -7.832007745e+00 3.02 -7.754314197e+00 -7.754314197e+00 3.04 -7.709538489e+00 -7.709538489e+00 3.06 -7.691547108e+00 -7.691547108e+00 3.08 -7.678265365e+00 -7.678265365e+00 3.10 -7.651018957e+00 -7.651018957e+00 3.12 -7.591951320e+00 -7.591951320e+00 3.14 -7.498748559e+00 -7.498748559e+00 3.16 -7.376656406e+00 -7.376656406e+00 3.18 -7.231044462e+00 -7.231044462e+00 3.20 -7.078274084e+00 -7.078274084e+00 3.22 -6.943236584e+00 -6.943236584e+00 3.24 -6.848926730e+00 -6.848926730e+00 3.26 -6.780069251e+00 -6.780069251e+00 3.28 -6.694110006e+00 -6.694110006e+00 3.30 -6.598540946e+00 -6.598540946e+00 3.32 -6.503347815e+00 -6.503347815e+00 3.34 -6.405995611e+00 -6.405995611e+00 3.36 -6.302310698e+00 -6.302310698e+00 3.38 -6.224040915e+00 -6.224040915e+00 3.40 -6.146070918e+00 -6.146070918e+00 3.42 -6.068073165e+00 -6.068073165e+00 3.44 -5.963789380e+00 -5.963789380e+00 3.46 -5.843051671e+00 -5.843051671e+00 3.48 -5.725894411e+00 -5.725894411e+00 3.50 -5.612598950e+00 -5.612598950e+00 3.52 -5.510096897e+00 -5.510096897e+00 3.54 -5.426710957e+00 -5.426710957e+00 3.56 -5.372060444e+00 -5.372060444e+00 3.58 -5.344459658e+00 -5.344459658e+00 3.60 -5.330275726e+00 -5.330275726e+00 3.62 -5.315313746e+00 -5.315313746e+00 3.64 -5.285731320e+00 -5.285731320e+00 3.66 -5.237700839e+00 -5.237700839e+00 3.68 -5.179530868e+00 -5.179530868e+00 3.70 -5.119009231e+00 -5.119009231e+00 3.72 -5.063670315e+00 -5.063670315e+00 3.74 -5.015450340e+00 -5.015450340e+00 3.76 -4.965724116e+00 -4.965724116e+00 3.78 -4.903575269e+00 -4.903575269e+00 3.80 -4.818763451e+00 -4.818763451e+00 3.82 -4.708573211e+00 -4.708573211e+00 3.84 -4.572901206e+00 -4.572901206e+00 3.86 -4.408225139e+00 -4.408225139e+00 3.88 -4.225038081e+00 -4.225038081e+00 3.90 -4.038252391e+00 -4.038252391e+00 3.92 -3.813782437e+00 -3.813782437e+00 3.94 -3.601003364e+00 -3.601003364e+00 3.96 -3.422973924e+00 -3.422973924e+00 3.98 -3.259164804e+00 -3.259164804e+00 4.00 -3.111157336e+00 -3.111157336e+00 4.02 -2.984220616e+00 -2.984220616e+00 4.04 -2.876577421e+00 -2.876577421e+00 4.06 -2.781874769e+00 -2.781874769e+00 4.08 -2.693166997e+00 -2.693166997e+00 4.10 -2.605498403e+00 -2.605498403e+00 4.12 -2.518943977e+00 -2.518943977e+00 4.14 -2.436590711e+00 -2.436590711e+00 4.16 -2.362484891e+00 -2.362484891e+00 4.18 -2.300491957e+00 -2.300491957e+00 4.20 -2.253182960e+00 -2.253182960e+00 4.22 -2.221826564e+00 -2.221826564e+00 4.24 -2.205072180e+00 -2.205072180e+00 4.26 -2.200308166e+00 -2.200308166e+00 4.28 -2.204917694e+00 -2.204917694e+00 4.30 -2.216311262e+00 -2.216311262e+00 4.32 -2.231918280e+00 -2.231918280e+00 4.34 -2.249392127e+00 -2.249392127e+00 4.36 -2.267740271e+00 -2.267740271e+00 4.38 -2.286427560e+00 -2.286427560e+00 4.40 -2.304910129e+00 -2.304910129e+00 4.42 -2.322623158e+00 -2.322623158e+00 4.44 -2.338982256e+00 -2.338982256e+00 4.46 -2.352993071e+00 -2.352993071e+00 4.48 -2.363750325e+00 -2.363750325e+00 4.50 -2.372252571e+00 -2.372252571e+00 4.52 -2.379770180e+00 -2.379770180e+00 4.54 -2.387594861e+00 -2.387594861e+00 4.56 -2.397043306e+00 -2.397043306e+00 4.58 -2.409547444e+00 -2.409547444e+00 4.60 -2.426360446e+00 -2.426360446e+00 4.62 -2.446479541e+00 -2.446479541e+00 4.64 -2.466862995e+00 -2.466862995e+00 4.66 -2.484335616e+00 -2.484335616e+00 4.68 -2.495790716e+00 -2.495790716e+00 4.70 -2.498672079e+00 -2.498672079e+00 4.72 -2.491269388e+00 -2.491269388e+00 4.74 -2.472670165e+00 -2.472670165e+00 4.76 -2.445083307e+00 -2.445083307e+00 4.78 -2.411936441e+00 -2.411936441e+00 4.80 -2.376583734e+00 -2.376583734e+00 4.82 -2.341381424e+00 -2.341381424e+00 4.84 -2.307817761e+00 -2.307817761e+00 4.86 -2.277331654e+00 -2.277331654e+00 4.88 -2.250295390e+00 -2.250295390e+00 4.90 -2.223968478e+00 -2.223968478e+00 4.92 -2.195230592e+00 -2.195230592e+00 4.94 -2.163736569e+00 -2.163736569e+00 4.96 -2.130574969e+00 -2.130574969e+00 4.98 -2.096984992e+00 -2.096984992e+00 5.00 -2.064566746e+00 -2.064566746e+00 5.02 -2.036883620e+00 -2.036883620e+00 5.04 -2.018185660e+00 -2.018185660e+00 5.06 -2.006290443e+00 -2.006290443e+00 5.08 -1.996949729e+00 -1.996949729e+00 5.10 -1.985806436e+00 -1.985806436e+00 5.12 -1.968458953e+00 -1.968458953e+00 5.14 -1.940246323e+00 -1.940246323e+00 5.16 -1.897830993e+00 -1.897830993e+00 5.18 -1.843856664e+00 -1.843856664e+00 5.20 -1.781960091e+00 -1.781960091e+00 5.22 -1.715082658e+00 -1.715082658e+00 5.24 -1.646723858e+00 -1.646723858e+00 5.26 -1.582504532e+00 -1.582504532e+00 5.28 -1.527635347e+00 -1.527635347e+00 5.30 -1.481677421e+00 -1.481677421e+00 5.32 -1.442635753e+00 -1.442635753e+00 5.34 -1.408219253e+00 -1.408219253e+00 5.36 -1.376130534e+00 -1.376130534e+00 5.38 -1.344364055e+00 -1.344364055e+00 5.40 -1.311751159e+00 -1.311751159e+00 5.42 -1.277977020e+00 -1.277977020e+00 5.44 -1.243336798e+00 -1.243336798e+00 5.46 -1.208147209e+00 -1.208147209e+00 5.48 -1.172499473e+00 -1.172499473e+00 5.50 -1.136740481e+00 -1.136740481e+00 5.52 -1.101675858e+00 -1.101675858e+00 5.54 -1.068572107e+00 -1.068572107e+00 5.56 -1.037642422e+00 -1.037642422e+00 5.58 -1.007749665e+00 -1.007749665e+00 5.60 -9.772885727e-01 -9.772885727e-01 5.62 -9.441321052e-01 -9.441321052e-01 5.64 -9.055435118e-01 -9.055435118e-01 5.66 -8.579784517e-01 -8.579784517e-01 5.68 -7.977744763e-01 -7.977744763e-01 5.70 -7.264978782e-01 -7.264978782e-01 5.72 -6.500273570e-01 -6.500273570e-01 5.74 -5.774748944e-01 -5.774748944e-01 5.76 -5.211000344e-01 -5.211000344e-01 5.78 -4.910832148e-01 -4.910832148e-01 5.80 -4.969078657e-01 -4.969078657e-01 5.82 -5.410283087e-01 -5.410283087e-01 5.84 -6.113463304e-01 -6.113463304e-01 5.86 -6.910797029e-01 -6.910797029e-01 5.88 -7.648885425e-01 -7.648885425e-01 5.90 -8.233638196e-01 -8.233638196e-01 5.92 -8.607669723e-01 -8.607669723e-01 5.94 -8.722168996e-01 -8.722168996e-01 5.96 -8.563869608e-01 -8.563869608e-01 5.98 -8.150366988e-01 -8.150366988e-01 6.00 -7.486129119e-01 -7.486129119e-01