# 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 = MoTiW2 # 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 5.260039579e+02 5.260039579e+02 1.08 4.755800136e+02 4.755800136e+02 1.10 4.307982415e+02 4.307982415e+02 1.12 3.909255358e+02 3.909255358e+02 1.14 3.552853440e+02 3.552853440e+02 1.16 3.233264122e+02 3.233264122e+02 1.18 2.943886437e+02 2.943886437e+02 1.20 2.679654569e+02 2.679654569e+02 1.22 2.441999666e+02 2.441999666e+02 1.24 2.229302409e+02 2.229302409e+02 1.26 2.038046190e+02 2.038046190e+02 1.28 1.866093888e+02 1.866093888e+02 1.30 1.711579590e+02 1.711579590e+02 1.32 1.571686467e+02 1.571686467e+02 1.34 1.444533740e+02 1.444533740e+02 1.36 1.328122745e+02 1.328122745e+02 1.38 1.224585847e+02 1.224585847e+02 1.40 1.131098463e+02 1.131098463e+02 1.42 1.045610698e+02 1.045610698e+02 1.44 9.671983374e+01 9.671983374e+01 1.46 8.948060882e+01 8.948060882e+01 1.48 8.290096079e+01 8.290096079e+01 1.50 7.683481625e+01 7.683481625e+01 1.52 7.107999346e+01 7.107999346e+01 1.54 6.568549656e+01 6.568549656e+01 1.56 6.070747376e+01 6.070747376e+01 1.58 5.611372957e+01 5.611372957e+01 1.60 5.184079173e+01 5.184079173e+01 1.62 4.787210409e+01 4.787210409e+01 1.64 4.420189215e+01 4.420189215e+01 1.66 4.082260432e+01 4.082260432e+01 1.68 3.769355049e+01 3.769355049e+01 1.70 3.480432704e+01 3.480432704e+01 1.72 3.218030209e+01 3.218030209e+01 1.74 2.977374434e+01 2.977374434e+01 1.76 2.750420933e+01 2.750420933e+01 1.78 2.536238603e+01 2.536238603e+01 1.80 2.333834640e+01 2.333834640e+01 1.82 2.142444403e+01 2.142444403e+01 1.84 1.965640412e+01 1.965640412e+01 1.86 1.804020221e+01 1.804020221e+01 1.88 1.653850894e+01 1.653850894e+01 1.90 1.511664311e+01 1.511664311e+01 1.92 1.377186155e+01 1.377186155e+01 1.94 1.254750006e+01 1.254750006e+01 1.96 1.138159342e+01 1.138159342e+01 1.98 1.022290343e+01 1.022290343e+01 2.00 9.020149187e+00 9.020149187e+00 2.02 7.814243058e+00 7.814243058e+00 2.04 6.718497165e+00 6.718497165e+00 2.06 5.734170124e+00 5.734170124e+00 2.08 4.835384547e+00 4.835384547e+00 2.10 4.043859476e+00 4.043859476e+00 2.12 3.354735316e+00 3.354735316e+00 2.14 2.740824598e+00 2.740824598e+00 2.16 2.172144451e+00 2.172144451e+00 2.18 1.631987495e+00 1.631987495e+00 2.20 1.113902211e+00 1.113902211e+00 2.22 6.400104114e-01 6.400104114e-01 2.24 2.145642313e-01 2.145642313e-01 2.26 -1.626894000e-01 -1.626894000e-01 2.28 -5.244224541e-01 -5.244224541e-01 2.30 -9.129464113e-01 -9.129464113e-01 2.32 -1.615588138e+00 -1.615588138e+00 2.34 -2.451348377e+00 -2.451348377e+00 2.36 -3.209435182e+00 -3.209435182e+00 2.38 -3.876996924e+00 -3.876996924e+00 2.40 -4.430258403e+00 -4.430258403e+00 2.42 -4.869782627e+00 -4.869782627e+00 2.44 -5.222167071e+00 -5.222167071e+00 2.46 -5.529729714e+00 -5.529729714e+00 2.48 -5.820599045e+00 -5.820599045e+00 2.50 -6.093203371e+00 -6.093203371e+00 2.52 -6.317787627e+00 -6.317787627e+00 2.54 -6.520941016e+00 -6.520941016e+00 2.56 -6.706559060e+00 -6.706559060e+00 2.58 -6.869886218e+00 -6.869886218e+00 2.60 -7.008442291e+00 -7.008442291e+00 2.62 -7.125697574e+00 -7.125697574e+00 2.64 -7.212534709e+00 -7.212534709e+00 2.66 -7.274306195e+00 -7.274306195e+00 2.68 -7.320028873e+00 -7.320028873e+00 2.70 -7.350784948e+00 -7.350784948e+00 2.72 -7.368902894e+00 -7.368902894e+00 2.74 -7.379924449e+00 -7.379924449e+00 2.76 -7.385102913e+00 -7.385102913e+00 2.78 -7.385756883e+00 -7.385756883e+00 2.80 -7.380230386e+00 -7.380230386e+00 2.82 -7.365135785e+00 -7.365135785e+00 2.84 -7.335800900e+00 -7.335800900e+00 2.86 -7.288834514e+00 -7.288834514e+00 2.88 -7.227684880e+00 -7.227684880e+00 2.90 -7.160950328e+00 -7.160950328e+00 2.92 -7.085315190e+00 -7.085315190e+00 2.94 -6.992883061e+00 -6.992883061e+00 2.96 -6.879784479e+00 -6.879784479e+00 2.98 -6.744245067e+00 -6.744245067e+00 3.00 -6.590001484e+00 -6.590001484e+00 3.02 -6.434467399e+00 -6.434467399e+00 3.04 -6.310741718e+00 -6.310741718e+00 3.06 -6.217181665e+00 -6.217181665e+00 3.08 -6.133177430e+00 -6.133177430e+00 3.10 -6.038041511e+00 -6.038041511e+00 3.12 -5.909917905e+00 -5.909917905e+00 3.14 -5.754114707e+00 -5.754114707e+00 3.16 -5.604039422e+00 -5.604039422e+00 3.18 -5.492345299e+00 -5.492345299e+00 3.20 -5.421676546e+00 -5.421676546e+00 3.22 -5.383776415e+00 -5.383776415e+00 3.24 -5.366908608e+00 -5.366908608e+00 3.26 -5.358447994e+00 -5.358447994e+00 3.28 -5.344327999e+00 -5.344327999e+00 3.30 -5.295777315e+00 -5.295777315e+00 3.32 -5.241254801e+00 -5.241254801e+00 3.34 -5.182367150e+00 -5.182367150e+00 3.36 -5.125280215e+00 -5.125280215e+00 3.38 -5.089623369e+00 -5.089623369e+00 3.40 -5.013630722e+00 -5.013630722e+00 3.42 -4.875675129e+00 -4.875675129e+00 3.44 -4.751710190e+00 -4.751710190e+00 3.46 -4.634436378e+00 -4.634436378e+00 3.48 -4.516758839e+00 -4.516758839e+00 3.50 -4.397481410e+00 -4.397481410e+00 3.52 -4.282001214e+00 -4.282001214e+00 3.54 -4.179795417e+00 -4.179795417e+00 3.56 -4.103949399e+00 -4.103949399e+00 3.58 -4.055891925e+00 -4.055891925e+00 3.60 -4.022213042e+00 -4.022213042e+00 3.62 -3.987081818e+00 -3.987081818e+00 3.64 -3.933649817e+00 -3.933649817e+00 3.66 -3.855733483e+00 -3.855733483e+00 3.68 -3.762776747e+00 -3.762776747e+00 3.70 -3.665790526e+00 -3.665790526e+00 3.72 -3.577248386e+00 -3.577248386e+00 3.74 -3.504644182e+00 -3.504644182e+00 3.76 -3.442795235e+00 -3.442795235e+00 3.78 -3.378831658e+00 -3.378831658e+00 3.80 -3.294790741e+00 -3.294790741e+00 3.82 -3.183458061e+00 -3.183458061e+00 3.84 -3.050932991e+00 -3.050932991e+00 3.86 -2.885324783e+00 -2.885324783e+00 3.88 -2.713718518e+00 -2.713718518e+00 3.90 -2.549723034e+00 -2.549723034e+00 3.92 -2.398188765e+00 -2.398188765e+00 3.94 -2.271102825e+00 -2.271102825e+00 3.96 -2.162306088e+00 -2.162306088e+00 3.98 -2.076445402e+00 -2.076445402e+00 4.00 -2.016047734e+00 -2.016047734e+00 4.02 -1.972610611e+00 -1.972610611e+00 4.04 -1.937231069e+00 -1.937231069e+00 4.06 -1.902940754e+00 -1.902940754e+00 4.08 -1.864855132e+00 -1.864855132e+00 4.10 -1.821740927e+00 -1.821740927e+00 4.12 -1.775491626e+00 -1.775491626e+00 4.14 -1.730561905e+00 -1.730561905e+00 4.16 -1.691337390e+00 -1.691337390e+00 4.18 -1.660868517e+00 -1.660868517e+00 4.20 -1.641135375e+00 -1.641135375e+00 4.22 -1.632982256e+00 -1.632982256e+00 4.24 -1.635646267e+00 -1.635646267e+00 4.26 -1.647515381e+00 -1.647515381e+00 4.28 -1.666955225e+00 -1.666955225e+00 4.30 -1.692316779e+00 -1.692316779e+00 4.32 -1.721919570e+00 -1.721919570e+00 4.34 -1.754113975e+00 -1.754113975e+00 4.36 -1.787337304e+00 -1.787337304e+00 4.38 -1.819951282e+00 -1.819951282e+00 4.40 -1.850337693e+00 -1.850337693e+00 4.42 -1.876936568e+00 -1.876936568e+00 4.44 -1.898284556e+00 -1.898284556e+00 4.46 -1.913178818e+00 -1.913178818e+00 4.48 -1.921792860e+00 -1.921792860e+00 4.50 -1.926044431e+00 -1.926044431e+00 4.52 -1.927951470e+00 -1.927951470e+00 4.54 -1.929420431e+00 -1.929420431e+00 4.56 -1.932260159e+00 -1.932260159e+00 4.58 -1.937586082e+00 -1.937586082e+00 4.60 -1.945138838e+00 -1.945138838e+00 4.62 -1.953250517e+00 -1.953250517e+00 4.64 -1.959217733e+00 -1.959217733e+00 4.66 -1.960526811e+00 -1.960526811e+00 4.68 -1.954939149e+00 -1.954939149e+00 4.70 -1.941542444e+00 -1.941542444e+00 4.72 -1.920982434e+00 -1.920982434e+00 4.74 -1.894277106e+00 -1.894277106e+00 4.76 -1.863500021e+00 -1.863500021e+00 4.78 -1.831362999e+00 -1.831362999e+00 4.80 -1.800642971e+00 -1.800642971e+00 4.82 -1.772474140e+00 -1.772474140e+00 4.84 -1.746431535e+00 -1.746431535e+00 4.86 -1.721889249e+00 -1.721889249e+00 4.88 -1.697761007e+00 -1.697761007e+00 4.90 -1.671381051e+00 -1.671381051e+00 4.92 -1.639675296e+00 -1.639675296e+00 4.94 -1.602547344e+00 -1.602547344e+00 4.96 -1.562664080e+00 -1.562664080e+00 4.98 -1.525774699e+00 -1.525774699e+00 5.00 -1.497349821e+00 -1.497349821e+00 5.02 -1.481537563e+00 -1.481537563e+00 5.04 -1.480719325e+00 -1.480719325e+00 5.06 -1.490851360e+00 -1.490851360e+00 5.08 -1.505946724e+00 -1.505946724e+00 5.10 -1.519288769e+00 -1.519288769e+00 5.12 -1.523932280e+00 -1.523932280e+00 5.14 -1.513326644e+00 -1.513326644e+00 5.16 -1.483955029e+00 -1.483955029e+00 5.18 -1.439947759e+00 -1.439947759e+00 5.20 -1.387870983e+00 -1.387870983e+00 5.22 -1.335107564e+00 -1.335107564e+00 5.24 -1.285093417e+00 -1.285093417e+00 5.26 -1.238372305e+00 -1.238372305e+00 5.28 -1.199627024e+00 -1.199627024e+00 5.30 -1.169934463e+00 -1.169934463e+00 5.32 -1.147474146e+00 -1.147474146e+00 5.34 -1.129509923e+00 -1.129509923e+00 5.36 -1.113718051e+00 -1.113718051e+00 5.38 -1.097654646e+00 -1.097654646e+00 5.40 -1.077189791e+00 -1.077189791e+00 5.42 -1.051724291e+00 -1.051724291e+00 5.44 -1.021971377e+00 -1.021971377e+00 5.46 -9.887892018e-01 -9.887892018e-01 5.48 -9.530732232e-01 -9.530732232e-01 5.50 -9.157629995e-01 -9.157629995e-01 5.52 -8.778491804e-01 -8.778491804e-01 5.54 -8.403720154e-01 -8.403720154e-01 5.56 -8.037699679e-01 -8.037699679e-01 5.58 -7.679764254e-01 -7.679764254e-01 5.60 -7.331692755e-01 -7.331692755e-01 5.62 -6.998686235e-01 -6.998686235e-01 5.64 -6.687820236e-01 -6.687820236e-01 5.66 -6.405352557e-01 -6.405352557e-01 5.68 -6.153163295e-01 -6.153163295e-01 5.70 -5.929564046e-01 -5.929564046e-01 5.72 -5.735309459e-01 -5.735309459e-01 5.74 -5.573328654e-01 -5.573328654e-01 5.76 -5.449900063e-01 -5.449900063e-01 5.78 -5.374886792e-01 -5.374886792e-01 5.80 -5.359749820e-01 -5.359749820e-01 5.82 -5.409266704e-01 -5.409266704e-01 5.84 -5.504107001e-01 -5.504107001e-01 5.86 -5.618453977e-01 -5.618453977e-01 5.88 -5.727063044e-01 -5.727063044e-01 5.90 -5.807233705e-01 -5.807233705e-01 5.92 -5.839565551e-01 -5.839565551e-01 5.94 -5.806262088e-01 -5.806262088e-01 5.96 -5.693349587e-01 -5.693349587e-01 5.98 -5.498557467e-01 -5.498557467e-01 6.00 -5.221380725e-01 -5.221380725e-01