# 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 = Mo2TaW # 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 4.121158772e+02 4.121158772e+02 1.08 3.801178148e+02 3.801178148e+02 1.10 3.512491261e+02 3.512491261e+02 1.12 3.252017737e+02 3.252017737e+02 1.14 3.018859581e+02 3.018859581e+02 1.16 2.805799501e+02 2.805799501e+02 1.18 2.609131852e+02 2.609131852e+02 1.20 2.424142187e+02 2.424142187e+02 1.22 2.252860410e+02 2.252860410e+02 1.24 2.097197611e+02 2.097197611e+02 1.26 1.954650759e+02 1.954650759e+02 1.28 1.823086808e+02 1.823086808e+02 1.30 1.702682734e+02 1.702682734e+02 1.32 1.594611140e+02 1.594611140e+02 1.34 1.496057643e+02 1.496057643e+02 1.36 1.402697576e+02 1.402697576e+02 1.38 1.316047492e+02 1.316047492e+02 1.40 1.236234344e+02 1.236234344e+02 1.42 1.161547691e+02 1.161547691e+02 1.44 1.091212100e+02 1.091212100e+02 1.46 1.023860776e+02 1.023860776e+02 1.48 9.604453654e+01 9.604453654e+01 1.50 9.002418791e+01 9.002418791e+01 1.52 8.427584154e+01 8.427584154e+01 1.54 7.888126283e+01 7.888126283e+01 1.56 7.387592988e+01 7.387592988e+01 1.58 6.910512581e+01 6.910512581e+01 1.60 6.456555671e+01 6.456555671e+01 1.62 6.018019421e+01 6.018019421e+01 1.64 5.597487663e+01 5.597487663e+01 1.66 5.201036591e+01 5.201036591e+01 1.68 4.832443874e+01 4.832443874e+01 1.70 4.490788739e+01 4.490788739e+01 1.72 4.172707586e+01 4.172707586e+01 1.74 3.871963111e+01 3.871963111e+01 1.76 3.584434778e+01 3.584434778e+01 1.78 3.314565772e+01 3.314565772e+01 1.80 3.067990444e+01 3.067990444e+01 1.82 2.841241765e+01 2.841241765e+01 1.84 2.632654022e+01 2.632654022e+01 1.86 2.438963944e+01 2.438963944e+01 1.88 2.256162464e+01 2.256162464e+01 1.90 2.085145474e+01 2.085145474e+01 1.92 1.918132104e+01 1.918132104e+01 1.94 1.757958050e+01 1.757958050e+01 1.96 1.603802471e+01 1.603802471e+01 1.98 1.453942468e+01 1.453942468e+01 2.00 1.304256444e+01 1.304256444e+01 2.02 1.156202432e+01 1.156202432e+01 2.04 1.017231755e+01 1.017231755e+01 2.06 8.893070655e+00 8.893070655e+00 2.08 7.704464333e+00 7.704464333e+00 2.10 6.602623169e+00 6.602623169e+00 2.12 5.627992355e+00 5.627992355e+00 2.14 4.667478239e+00 4.667478239e+00 2.16 3.769616009e+00 3.769616009e+00 2.18 2.939251422e+00 2.939251422e+00 2.20 2.192791090e+00 2.192791090e+00 2.22 1.536148909e+00 1.536148909e+00 2.24 9.227522412e-01 9.227522412e-01 2.26 3.636095254e-01 3.636095254e-01 2.28 -1.395442787e-01 -1.395442787e-01 2.30 -7.627374902e-01 -7.627374902e-01 2.32 -1.587797874e+00 -1.587797874e+00 2.34 -2.279281013e+00 -2.279281013e+00 2.36 -2.996350431e+00 -2.996350431e+00 2.38 -3.702601837e+00 -3.702601837e+00 2.40 -4.268348070e+00 -4.268348070e+00 2.42 -4.728419138e+00 -4.728419138e+00 2.44 -5.122832051e+00 -5.122832051e+00 2.46 -5.464810147e+00 -5.464810147e+00 2.48 -5.767825871e+00 -5.767825871e+00 2.50 -6.045587705e+00 -6.045587705e+00 2.52 -6.303696123e+00 -6.303696123e+00 2.54 -6.531998384e+00 -6.531998384e+00 2.56 -6.747695756e+00 -6.747695756e+00 2.58 -6.949424170e+00 -6.949424170e+00 2.60 -7.123408232e+00 -7.123408232e+00 2.62 -7.276072991e+00 -7.276072991e+00 2.64 -7.399318593e+00 -7.399318593e+00 2.66 -7.498660561e+00 -7.498660561e+00 2.68 -7.584433589e+00 -7.584433589e+00 2.70 -7.657700245e+00 -7.657700245e+00 2.72 -7.711865410e+00 -7.711865410e+00 2.74 -7.747676024e+00 -7.747676024e+00 2.76 -7.765632961e+00 -7.765632961e+00 2.78 -7.769984572e+00 -7.769984572e+00 2.80 -7.757657355e+00 -7.757657355e+00 2.82 -7.724895052e+00 -7.724895052e+00 2.84 -7.672474226e+00 -7.672474226e+00 2.86 -7.608252968e+00 -7.608252968e+00 2.88 -7.536022085e+00 -7.536022085e+00 2.90 -7.453366730e+00 -7.453366730e+00 2.92 -7.362122157e+00 -7.362122157e+00 2.94 -7.266971000e+00 -7.266971000e+00 2.96 -7.163890897e+00 -7.163890897e+00 2.98 -7.047640324e+00 -7.047640324e+00 3.00 -6.923672892e+00 -6.923672892e+00 3.02 -6.801807446e+00 -6.801807446e+00 3.04 -6.691746322e+00 -6.691746322e+00 3.06 -6.593471139e+00 -6.593471139e+00 3.08 -6.497913247e+00 -6.497913247e+00 3.10 -6.398975961e+00 -6.398975961e+00 3.12 -6.281177445e+00 -6.281177445e+00 3.14 -6.143843481e+00 -6.143843481e+00 3.16 -5.994587566e+00 -5.994587566e+00 3.18 -5.849981369e+00 -5.849981369e+00 3.20 -5.724446289e+00 -5.724446289e+00 3.22 -5.621730382e+00 -5.621730382e+00 3.24 -5.555141703e+00 -5.555141703e+00 3.26 -5.501409575e+00 -5.501409575e+00 3.28 -5.443064510e+00 -5.443064510e+00 3.30 -5.376867336e+00 -5.376867336e+00 3.32 -5.301251006e+00 -5.301251006e+00 3.34 -5.215573879e+00 -5.215573879e+00 3.36 -5.118937988e+00 -5.118937988e+00 3.38 -5.013896095e+00 -5.013896095e+00 3.40 -4.907545361e+00 -4.907545361e+00 3.42 -4.813716014e+00 -4.813716014e+00 3.44 -4.734106972e+00 -4.734106972e+00 3.46 -4.661655466e+00 -4.661655466e+00 3.48 -4.572621449e+00 -4.572621449e+00 3.50 -4.475588338e+00 -4.475588338e+00 3.52 -4.381712350e+00 -4.381712350e+00 3.54 -4.300264981e+00 -4.300264981e+00 3.56 -4.234478765e+00 -4.234478765e+00 3.58 -4.181458790e+00 -4.181458790e+00 3.60 -4.135927975e+00 -4.135927975e+00 3.62 -4.092918530e+00 -4.092918530e+00 3.64 -4.047548412e+00 -4.047548412e+00 3.66 -3.996952203e+00 -3.996952203e+00 3.68 -3.940445099e+00 -3.940445099e+00 3.70 -3.876085652e+00 -3.876085652e+00 3.72 -3.801811093e+00 -3.801811093e+00 3.74 -3.717851003e+00 -3.717851003e+00 3.76 -3.627523674e+00 -3.627523674e+00 3.78 -3.534306219e+00 -3.534306219e+00 3.80 -3.440085555e+00 -3.440085555e+00 3.82 -3.325085447e+00 -3.325085447e+00 3.84 -3.180283090e+00 -3.180283090e+00 3.86 -3.018336233e+00 -3.018336233e+00 3.88 -2.855755310e+00 -2.855755310e+00 3.90 -2.696941281e+00 -2.696941281e+00 3.92 -2.544469708e+00 -2.544469708e+00 3.94 -2.405648865e+00 -2.405648865e+00 3.96 -2.282401633e+00 -2.282401633e+00 3.98 -2.173731898e+00 -2.173731898e+00 4.00 -2.077765892e+00 -2.077765892e+00 4.02 -1.992812427e+00 -1.992812427e+00 4.04 -1.918243017e+00 -1.918243017e+00 4.06 -1.853061669e+00 -1.853061669e+00 4.08 -1.795553390e+00 -1.795553390e+00 4.10 -1.743439940e+00 -1.743439940e+00 4.12 -1.695397346e+00 -1.695397346e+00 4.14 -1.651347137e+00 -1.651347137e+00 4.16 -1.611646361e+00 -1.611646361e+00 4.18 -1.577268703e+00 -1.577268703e+00 4.20 -1.549643972e+00 -1.549643972e+00 4.22 -1.530109535e+00 -1.530109535e+00 4.24 -1.518884338e+00 -1.518884338e+00 4.26 -1.515018054e+00 -1.515018054e+00 4.28 -1.517228641e+00 -1.517228641e+00 4.30 -1.524040975e+00 -1.524040975e+00 4.32 -1.533866598e+00 -1.533866598e+00 4.34 -1.545135256e+00 -1.545135256e+00 4.36 -1.556997343e+00 -1.556997343e+00 4.38 -1.568923375e+00 -1.568923375e+00 4.40 -1.580408231e+00 -1.580408231e+00 4.42 -1.590969087e+00 -1.590969087e+00 4.44 -1.600155674e+00 -1.600155674e+00 4.46 -1.607217591e+00 -1.607217591e+00 4.48 -1.611220876e+00 -1.611220876e+00 4.50 -1.612496805e+00 -1.612496805e+00 4.52 -1.611507404e+00 -1.611507404e+00 4.54 -1.608701639e+00 -1.608701639e+00 4.56 -1.604523661e+00 -1.604523661e+00 4.58 -1.599334587e+00 -1.599334587e+00 4.60 -1.593356059e+00 -1.593356059e+00 4.62 -1.586049128e+00 -1.586049128e+00 4.64 -1.576442753e+00 -1.576442753e+00 4.66 -1.563802236e+00 -1.563802236e+00 4.68 -1.547285317e+00 -1.547285317e+00 4.70 -1.526032352e+00 -1.526032352e+00 4.72 -1.500123223e+00 -1.500123223e+00 4.74 -1.470869275e+00 -1.470869275e+00 4.76 -1.441288697e+00 -1.441288697e+00 4.78 -1.414007938e+00 -1.414007938e+00 4.80 -1.390895790e+00 -1.390895790e+00 4.82 -1.372758116e+00 -1.372758116e+00 4.84 -1.359884751e+00 -1.359884751e+00 4.86 -1.352736982e+00 -1.352736982e+00 4.88 -1.351262618e+00 -1.351262618e+00 4.90 -1.353640395e+00 -1.353640395e+00 4.92 -1.357704579e+00 -1.357704579e+00 4.94 -1.361849010e+00 -1.361849010e+00 4.96 -1.364838641e+00 -1.364838641e+00 4.98 -1.365430751e+00 -1.365430751e+00 5.00 -1.362439544e+00 -1.362439544e+00 5.02 -1.356070525e+00 -1.356070525e+00 5.04 -1.347762674e+00 -1.347762674e+00 5.06 -1.337567447e+00 -1.337567447e+00 5.08 -1.325054893e+00 -1.325054893e+00 5.10 -1.309825228e+00 -1.309825228e+00 5.12 -1.291556502e+00 -1.291556502e+00 5.14 -1.269882459e+00 -1.269882459e+00 5.16 -1.244031432e+00 -1.244031432e+00 5.18 -1.214139900e+00 -1.214139900e+00 5.20 -1.180557587e+00 -1.180557587e+00 5.22 -1.143582691e+00 -1.143582691e+00 5.24 -1.103472384e+00 -1.103472384e+00 5.26 -1.060514068e+00 -1.060514068e+00 5.28 -1.016193179e+00 -1.016193179e+00 5.30 -9.729466465e-01 -9.729466465e-01 5.32 -9.331969340e-01 -9.331969340e-01 5.34 -8.993278607e-01 -8.993278607e-01 5.36 -8.736209319e-01 -8.736209319e-01 5.38 -8.552524498e-01 -8.552524498e-01 5.40 -8.345576133e-01 -8.345576133e-01 5.42 -8.106698780e-01 -8.106698780e-01 5.44 -7.843883134e-01 -7.843883134e-01 5.46 -7.566123489e-01 -7.566123489e-01 5.48 -7.282509071e-01 -7.282509071e-01 5.50 -7.002298935e-01 -7.002298935e-01 5.52 -6.734855702e-01 -6.734855702e-01 5.54 -6.489436257e-01 -6.489436257e-01 5.56 -6.271029061e-01 -6.271029061e-01 5.58 -6.079095212e-01 -6.079095212e-01 5.60 -5.911933458e-01 -5.911933458e-01 5.62 -5.768513760e-01 -5.768513760e-01 5.64 -5.648734778e-01 -5.648734778e-01 5.66 -5.552411796e-01 -5.552411796e-01 5.68 -5.477701827e-01 -5.477701827e-01 5.70 -5.422367906e-01 -5.422367906e-01 5.72 -5.387751577e-01 -5.387751577e-01 5.74 -5.373094395e-01 -5.373094395e-01 5.76 -5.374702517e-01 -5.374702517e-01 5.78 -5.388101949e-01 -5.388101949e-01 5.80 -5.408955733e-01 -5.408955733e-01 5.82 -5.433817982e-01 -5.433817982e-01 5.84 -5.456228673e-01 -5.456228673e-01 5.86 -5.468612720e-01 -5.468612720e-01 5.88 -5.463670316e-01 -5.463670316e-01 5.90 -5.434250871e-01 -5.434250871e-01 5.92 -5.373015857e-01 -5.373015857e-01 5.94 -5.272011567e-01 -5.272011567e-01 5.96 -5.125563771e-01 -5.125563771e-01 5.98 -4.934143593e-01 -4.934143593e-01 6.00 -4.698986584e-01 -4.698986584e-01