# 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 = NbTa2Zr # 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 3.798251337e+02 3.798251337e+02 1.08 3.497455713e+02 3.497455713e+02 1.10 3.220348152e+02 3.220348152e+02 1.12 2.963971920e+02 2.963971920e+02 1.14 2.725251027e+02 2.725251027e+02 1.16 2.506589174e+02 2.506589174e+02 1.18 2.305633909e+02 2.305633909e+02 1.20 2.114565900e+02 2.114565900e+02 1.22 1.936052948e+02 1.936052948e+02 1.24 1.772287407e+02 1.772287407e+02 1.26 1.621780036e+02 1.621780036e+02 1.28 1.482653239e+02 1.482653239e+02 1.30 1.356627982e+02 1.356627982e+02 1.32 1.241194571e+02 1.241194571e+02 1.34 1.136768137e+02 1.136768137e+02 1.36 1.041004042e+02 1.041004042e+02 1.38 9.528039290e+01 9.528039290e+01 1.40 8.717271735e+01 8.717271735e+01 1.42 7.964861930e+01 7.964861930e+01 1.44 7.272098402e+01 7.272098402e+01 1.46 6.639924333e+01 6.639924333e+01 1.48 6.087854962e+01 6.087854962e+01 1.50 5.595633893e+01 5.595633893e+01 1.52 5.132331268e+01 5.132331268e+01 1.54 4.696347667e+01 4.696347667e+01 1.56 4.296694841e+01 4.296694841e+01 1.58 3.934460323e+01 3.934460323e+01 1.60 3.605001912e+01 3.605001912e+01 1.62 3.303772514e+01 3.303772514e+01 1.64 3.029745866e+01 3.029745866e+01 1.66 2.781418247e+01 2.781418247e+01 1.68 2.557227846e+01 2.557227846e+01 1.70 2.356992882e+01 2.356992882e+01 1.72 2.173771066e+01 2.173771066e+01 1.74 2.001038939e+01 2.001038939e+01 1.76 1.840788875e+01 1.840788875e+01 1.78 1.694540244e+01 1.694540244e+01 1.80 1.556605004e+01 1.556605004e+01 1.82 1.424721856e+01 1.424721856e+01 1.84 1.301687894e+01 1.301687894e+01 1.86 1.191262383e+01 1.191262383e+01 1.88 1.095635330e+01 1.095635330e+01 1.90 1.010782033e+01 1.010782033e+01 1.92 9.343994893e+00 9.343994893e+00 1.94 8.629050144e+00 8.629050144e+00 1.96 7.928134030e+00 7.928134030e+00 1.98 7.219532309e+00 7.219532309e+00 2.00 6.484229124e+00 6.484229124e+00 2.02 5.802634369e+00 5.802634369e+00 2.04 5.175999071e+00 5.175999071e+00 2.06 4.608619339e+00 4.608619339e+00 2.08 4.096080575e+00 4.096080575e+00 2.10 3.639004673e+00 3.639004673e+00 2.12 3.210144538e+00 3.210144538e+00 2.14 2.762943777e+00 2.762943777e+00 2.16 2.285011702e+00 2.285011702e+00 2.18 1.805201187e+00 1.805201187e+00 2.20 1.365823104e+00 1.365823104e+00 2.22 9.353779934e-01 9.353779934e-01 2.24 5.588459493e-01 5.588459493e-01 2.26 1.954084392e-01 1.954084392e-01 2.28 -1.616056599e-01 -1.616056599e-01 2.30 -5.148020282e-01 -5.148020282e-01 2.32 -9.756957858e-01 -9.756957858e-01 2.34 -1.490767482e+00 -1.490767482e+00 2.36 -1.977123450e+00 -1.977123450e+00 2.38 -2.446018575e+00 -2.446018575e+00 2.40 -2.905223498e+00 -2.905223498e+00 2.42 -3.330645717e+00 -3.330645717e+00 2.44 -3.736738863e+00 -3.736738863e+00 2.46 -4.097285987e+00 -4.097285987e+00 2.48 -4.422011660e+00 -4.422011660e+00 2.50 -4.720418881e+00 -4.720418881e+00 2.52 -4.998432776e+00 -4.998432776e+00 2.54 -5.258300440e+00 -5.258300440e+00 2.56 -5.499617773e+00 -5.499617773e+00 2.58 -5.717125835e+00 -5.717125835e+00 2.60 -5.910793629e+00 -5.910793629e+00 2.62 -6.082709286e+00 -6.082709286e+00 2.64 -6.243041750e+00 -6.243041750e+00 2.66 -6.405749431e+00 -6.405749431e+00 2.68 -6.553400554e+00 -6.553400554e+00 2.70 -6.694940227e+00 -6.694940227e+00 2.72 -6.831750235e+00 -6.831750235e+00 2.74 -6.950230893e+00 -6.950230893e+00 2.76 -7.047013043e+00 -7.047013043e+00 2.78 -7.128485354e+00 -7.128485354e+00 2.80 -7.195039327e+00 -7.195039327e+00 2.82 -7.257954136e+00 -7.257954136e+00 2.84 -7.321178145e+00 -7.321178145e+00 2.86 -7.378057409e+00 -7.378057409e+00 2.88 -7.418284135e+00 -7.418284135e+00 2.90 -7.436148887e+00 -7.436148887e+00 2.92 -7.436664821e+00 -7.436664821e+00 2.94 -7.426275099e+00 -7.426275099e+00 2.96 -7.409809696e+00 -7.409809696e+00 2.98 -7.393483179e+00 -7.393483179e+00 3.00 -7.377043452e+00 -7.377043452e+00 3.02 -7.356896546e+00 -7.356896546e+00 3.04 -7.328963736e+00 -7.328963736e+00 3.06 -7.293858709e+00 -7.293858709e+00 3.08 -7.257216103e+00 -7.257216103e+00 3.10 -7.225882663e+00 -7.225882663e+00 3.12 -7.197032001e+00 -7.197032001e+00 3.14 -7.160814482e+00 -7.160814482e+00 3.16 -7.113572661e+00 -7.113572661e+00 3.18 -7.051267583e+00 -7.051267583e+00 3.20 -6.978261845e+00 -6.978261845e+00 3.22 -6.905225981e+00 -6.905225981e+00 3.24 -6.842593643e+00 -6.842593643e+00 3.26 -6.784725885e+00 -6.784725885e+00 3.28 -6.722928057e+00 -6.722928057e+00 3.30 -6.658130055e+00 -6.658130055e+00 3.32 -6.591100441e+00 -6.591100441e+00 3.34 -6.521595567e+00 -6.521595567e+00 3.36 -6.448305481e+00 -6.448305481e+00 3.38 -6.368552182e+00 -6.368552182e+00 3.40 -6.280582345e+00 -6.280582345e+00 3.42 -6.187596454e+00 -6.187596454e+00 3.44 -6.097228739e+00 -6.097228739e+00 3.46 -6.012676919e+00 -6.012676919e+00 3.48 -5.930325954e+00 -5.930325954e+00 3.50 -5.848763438e+00 -5.848763438e+00 3.52 -5.770600855e+00 -5.770600855e+00 3.54 -5.698934061e+00 -5.698934061e+00 3.56 -5.634876130e+00 -5.634876130e+00 3.58 -5.577374405e+00 -5.577374405e+00 3.60 -5.523482424e+00 -5.523482424e+00 3.62 -5.469944275e+00 -5.469944275e+00 3.64 -5.413440329e+00 -5.413440329e+00 3.66 -5.351934121e+00 -5.351934121e+00 3.68 -5.285424299e+00 -5.285424299e+00 3.70 -5.214732895e+00 -5.214732895e+00 3.72 -5.140792634e+00 -5.140792634e+00 3.74 -5.066068709e+00 -5.066068709e+00 3.76 -4.995500748e+00 -4.995500748e+00 3.78 -4.934738410e+00 -4.934738410e+00 3.80 -4.888979804e+00 -4.888979804e+00 3.82 -4.848410202e+00 -4.848410202e+00 3.84 -4.805792009e+00 -4.805792009e+00 3.86 -4.758500466e+00 -4.758500466e+00 3.88 -4.704250295e+00 -4.704250295e+00 3.90 -4.638276645e+00 -4.638276645e+00 3.92 -4.552178415e+00 -4.552178415e+00 3.94 -4.435657411e+00 -4.435657411e+00 3.96 -4.283518014e+00 -4.283518014e+00 3.98 -4.104803259e+00 -4.104803259e+00 4.00 -3.914148464e+00 -3.914148464e+00 4.02 -3.725185815e+00 -3.725185815e+00 4.04 -3.544165919e+00 -3.544165919e+00 4.06 -3.373854906e+00 -3.373854906e+00 4.08 -3.213194401e+00 -3.213194401e+00 4.10 -3.058213793e+00 -3.058213793e+00 4.12 -2.910408768e+00 -2.910408768e+00 4.14 -2.780808539e+00 -2.780808539e+00 4.16 -2.679144525e+00 -2.679144525e+00 4.18 -2.600907983e+00 -2.600907983e+00 4.20 -2.533682258e+00 -2.533682258e+00 4.22 -2.469658985e+00 -2.469658985e+00 4.24 -2.406933932e+00 -2.406933932e+00 4.26 -2.346352672e+00 -2.346352672e+00 4.28 -2.288270665e+00 -2.288270665e+00 4.30 -2.232449485e+00 -2.232449485e+00 4.32 -2.178338495e+00 -2.178338495e+00 4.34 -2.125518900e+00 -2.125518900e+00 4.36 -2.074711095e+00 -2.074711095e+00 4.38 -2.026950242e+00 -2.026950242e+00 4.40 -1.982988005e+00 -1.982988005e+00 4.42 -1.943074901e+00 -1.943074901e+00 4.44 -1.907367058e+00 -1.907367058e+00 4.46 -1.875818258e+00 -1.875818258e+00 4.48 -1.847769906e+00 -1.847769906e+00 4.50 -1.822415173e+00 -1.822415173e+00 4.52 -1.798984316e+00 -1.798984316e+00 4.54 -1.776735401e+00 -1.776735401e+00 4.56 -1.754927487e+00 -1.754927487e+00 4.58 -1.732881417e+00 -1.732881417e+00 4.60 -1.710024060e+00 -1.710024060e+00 4.62 -1.685861890e+00 -1.685861890e+00 4.64 -1.659981844e+00 -1.659981844e+00 4.66 -1.632000729e+00 -1.632000729e+00 4.68 -1.601748381e+00 -1.601748381e+00 4.70 -1.569329702e+00 -1.569329702e+00 4.72 -1.535037661e+00 -1.535037661e+00 4.74 -1.499284687e+00 -1.499284687e+00 4.76 -1.463015310e+00 -1.463015310e+00 4.78 -1.427359193e+00 -1.427359193e+00 4.80 -1.393389919e+00 -1.393389919e+00 4.82 -1.361684389e+00 -1.361684389e+00 4.84 -1.332506790e+00 -1.332506790e+00 4.86 -1.306088235e+00 -1.306088235e+00 4.88 -1.282141464e+00 -1.282141464e+00 4.90 -1.259251241e+00 -1.259251241e+00 4.92 -1.235923353e+00 -1.235923353e+00 4.94 -1.211211518e+00 -1.211211518e+00 4.96 -1.184330983e+00 -1.184330983e+00 4.98 -1.154428375e+00 -1.154428375e+00 5.00 -1.120679263e+00 -1.120679263e+00 5.02 -1.083614352e+00 -1.083614352e+00 5.04 -1.044980123e+00 -1.044980123e+00 5.06 -1.006135893e+00 -1.006135893e+00 5.08 -9.684166605e-01 -9.684166605e-01 5.10 -9.331484078e-01 -9.331484078e-01 5.12 -9.015447054e-01 -9.015447054e-01 5.14 -8.744224351e-01 -8.744224351e-01 5.16 -8.509106027e-01 -8.509106027e-01 5.18 -8.294913845e-01 -8.294913845e-01 5.20 -8.087173030e-01 -8.087173030e-01 5.22 -7.872254746e-01 -7.872254746e-01 5.24 -7.637446739e-01 -7.637446739e-01 5.26 -7.369771725e-01 -7.369771725e-01 5.28 -7.067221280e-01 -7.067221280e-01 5.30 -6.746176943e-01 -6.746176943e-01 5.32 -6.424180366e-01 -6.424180366e-01 5.34 -6.120320687e-01 -6.120320687e-01 5.36 -5.858143602e-01 -5.858143602e-01 5.38 -5.647034818e-01 -5.647034818e-01 5.40 -5.433921123e-01 -5.433921123e-01 5.42 -5.217324669e-01 -5.217324669e-01 5.44 -4.998987728e-01 -4.998987728e-01 5.46 -4.781912896e-01 -4.781912896e-01 5.48 -4.570552599e-01 -4.570552599e-01 5.50 -4.370353875e-01 -4.370353875e-01 5.52 -4.187167780e-01 -4.187167780e-01 5.54 -4.026219313e-01 -4.026219313e-01 5.56 -3.888342124e-01 -3.888342124e-01 5.58 -3.770876072e-01 -3.770876072e-01 5.60 -3.669415672e-01 -3.669415672e-01 5.62 -3.578619536e-01 -3.578619536e-01 5.64 -3.492775040e-01 -3.492775040e-01 5.66 -3.406158941e-01 -3.406158941e-01 5.68 -3.315101336e-01 -3.315101336e-01 5.70 -3.224205423e-01 -3.224205423e-01 5.72 -3.140146420e-01 -3.140146420e-01 5.74 -3.069529141e-01 -3.069529141e-01 5.76 -3.018832817e-01 -3.018832817e-01 5.78 -2.994313416e-01 -2.994313416e-01 5.80 -3.001762801e-01 -3.001762801e-01 5.82 -3.040577533e-01 -3.040577533e-01 5.84 -3.099363549e-01 -3.099363549e-01 5.86 -3.166476635e-01 -3.166476635e-01 5.88 -3.231270198e-01 -3.231270198e-01 5.90 -3.283949011e-01 -3.283949011e-01 5.92 -3.315188399e-01 -3.315188399e-01 5.94 -3.315874496e-01 -3.315874496e-01 5.96 -3.281060751e-01 -3.281060751e-01 5.98 -3.207597179e-01 -3.207597179e-01 6.00 -3.090864051e-01 -3.090864051e-01