# 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 = Mo2TiZr # 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 1.004681744e+03 1.004681744e+03 1.08 9.103423122e+02 9.103423122e+02 1.10 8.255292068e+02 8.255292068e+02 1.12 7.485747473e+02 7.485747473e+02 1.14 6.787966865e+02 6.787966865e+02 1.16 6.157361265e+02 6.157361265e+02 1.18 5.587292950e+02 5.587292950e+02 1.20 5.071983683e+02 5.071983683e+02 1.22 4.605414804e+02 4.605414804e+02 1.24 4.182390317e+02 4.182390317e+02 1.26 3.799283120e+02 3.799283120e+02 1.28 3.453994714e+02 3.453994714e+02 1.30 3.142889706e+02 3.142889706e+02 1.32 2.860364733e+02 2.860364733e+02 1.34 2.602433845e+02 2.602433845e+02 1.36 2.366461412e+02 2.366461412e+02 1.38 2.152670977e+02 2.152670977e+02 1.40 1.959970244e+02 1.959970244e+02 1.42 1.785604254e+02 1.785604254e+02 1.44 1.627997626e+02 1.627997626e+02 1.46 1.484231070e+02 1.484231070e+02 1.48 1.351406876e+02 1.351406876e+02 1.50 1.229886208e+02 1.229886208e+02 1.52 1.119912327e+02 1.119912327e+02 1.54 1.019891024e+02 1.019891024e+02 1.56 9.290318374e+01 9.290318374e+01 1.58 8.464710660e+01 8.464710660e+01 1.60 7.721341790e+01 7.721341790e+01 1.62 7.037846820e+01 7.037846820e+01 1.64 6.408206886e+01 6.408206886e+01 1.66 5.832398498e+01 5.832398498e+01 1.68 5.303934308e+01 5.303934308e+01 1.70 4.816725403e+01 4.816725403e+01 1.72 4.372736599e+01 4.372736599e+01 1.74 3.974162016e+01 3.974162016e+01 1.76 3.613641639e+01 3.613641639e+01 1.78 3.280704840e+01 3.280704840e+01 1.80 2.971931369e+01 2.971931369e+01 1.82 2.690342963e+01 2.690342963e+01 1.84 2.434479880e+01 2.434479880e+01 1.86 2.200857012e+01 2.200857012e+01 1.88 1.989434651e+01 1.989434651e+01 1.90 1.801093605e+01 1.801093605e+01 1.92 1.631272173e+01 1.631272173e+01 1.94 1.474433291e+01 1.474433291e+01 1.96 1.326803916e+01 1.326803916e+01 1.98 1.195093176e+01 1.195093176e+01 2.00 1.076190924e+01 1.076190924e+01 2.02 9.685520901e+00 9.685520901e+00 2.04 8.708615683e+00 8.708615683e+00 2.06 7.816347461e+00 7.816347461e+00 2.08 6.992833783e+00 6.992833783e+00 2.10 6.232794612e+00 6.232794612e+00 2.12 5.533465323e+00 5.533465323e+00 2.14 4.794421275e+00 4.794421275e+00 2.16 3.827009250e+00 3.827009250e+00 2.18 2.975471248e+00 2.975471248e+00 2.20 2.262393999e+00 2.262393999e+00 2.22 1.456008180e+00 1.456008180e+00 2.24 7.688255036e-01 7.688255036e-01 2.26 1.472989967e-01 1.472989967e-01 2.28 -4.189060144e-01 -4.189060144e-01 2.30 -9.167807931e-01 -9.167807931e-01 2.32 -1.377516131e+00 -1.377516131e+00 2.34 -1.816940985e+00 -1.816940985e+00 2.36 -2.221802908e+00 -2.221802908e+00 2.38 -2.620633170e+00 -2.620633170e+00 2.40 -3.004680812e+00 -3.004680812e+00 2.42 -3.384293266e+00 -3.384293266e+00 2.44 -3.746393783e+00 -3.746393783e+00 2.46 -4.065483762e+00 -4.065483762e+00 2.48 -4.333712711e+00 -4.333712711e+00 2.50 -4.566653942e+00 -4.566653942e+00 2.52 -4.771767895e+00 -4.771767895e+00 2.54 -4.957877181e+00 -4.957877181e+00 2.56 -5.126934922e+00 -5.126934922e+00 2.58 -5.284076142e+00 -5.284076142e+00 2.60 -5.433023443e+00 -5.433023443e+00 2.62 -5.582810281e+00 -5.582810281e+00 2.64 -5.732530840e+00 -5.732530840e+00 2.66 -5.867922018e+00 -5.867922018e+00 2.68 -5.979480674e+00 -5.979480674e+00 2.70 -6.061055574e+00 -6.061055574e+00 2.72 -6.115976183e+00 -6.115976183e+00 2.74 -6.155532034e+00 -6.155532034e+00 2.76 -6.186689433e+00 -6.186689433e+00 2.78 -6.210649639e+00 -6.210649639e+00 2.80 -6.223852801e+00 -6.223852801e+00 2.82 -6.220655362e+00 -6.220655362e+00 2.84 -6.197282253e+00 -6.197282253e+00 2.86 -6.161022084e+00 -6.161022084e+00 2.88 -6.126319962e+00 -6.126319962e+00 2.90 -6.103796402e+00 -6.103796402e+00 2.92 -6.081819004e+00 -6.081819004e+00 2.94 -6.059982148e+00 -6.059982148e+00 2.96 -6.033090721e+00 -6.033090721e+00 2.98 -5.993013049e+00 -5.993013049e+00 3.00 -5.941291950e+00 -5.941291950e+00 3.02 -5.879441338e+00 -5.879441338e+00 3.04 -5.807540905e+00 -5.807540905e+00 3.06 -5.729142676e+00 -5.729142676e+00 3.08 -5.648641501e+00 -5.648641501e+00 3.10 -5.562007554e+00 -5.562007554e+00 3.12 -5.472012601e+00 -5.472012601e+00 3.14 -5.384430205e+00 -5.384430205e+00 3.16 -5.296417113e+00 -5.296417113e+00 3.18 -5.182199078e+00 -5.182199078e+00 3.20 -5.025101507e+00 -5.025101507e+00 3.22 -4.861842371e+00 -4.861842371e+00 3.24 -4.767377569e+00 -4.767377569e+00 3.26 -4.711475360e+00 -4.711475360e+00 3.28 -4.656647267e+00 -4.656647267e+00 3.30 -4.596879190e+00 -4.596879190e+00 3.32 -4.527312010e+00 -4.527312010e+00 3.34 -4.445870105e+00 -4.445870105e+00 3.36 -4.351848166e+00 -4.351848166e+00 3.38 -4.243392287e+00 -4.243392287e+00 3.40 -4.117455421e+00 -4.117455421e+00 3.42 -3.975453254e+00 -3.975453254e+00 3.44 -3.825918926e+00 -3.825918926e+00 3.46 -3.678335299e+00 -3.678335299e+00 3.48 -3.538915177e+00 -3.538915177e+00 3.50 -3.406442424e+00 -3.406442424e+00 3.52 -3.276916386e+00 -3.276916386e+00 3.54 -3.147627578e+00 -3.147627578e+00 3.56 -3.015867834e+00 -3.015867834e+00 3.58 -2.882867180e+00 -2.882867180e+00 3.60 -2.754131701e+00 -2.754131701e+00 3.62 -2.635473074e+00 -2.635473074e+00 3.64 -2.532444324e+00 -2.532444324e+00 3.66 -2.445568688e+00 -2.445568688e+00 3.68 -2.368192560e+00 -2.368192560e+00 3.70 -2.292342445e+00 -2.292342445e+00 3.72 -2.210420932e+00 -2.210420932e+00 3.74 -2.122805583e+00 -2.122805583e+00 3.76 -2.042098054e+00 -2.042098054e+00 3.78 -1.981613404e+00 -1.981613404e+00 3.80 -1.952565409e+00 -1.952565409e+00 3.82 -1.934203389e+00 -1.934203389e+00 3.84 -1.914005094e+00 -1.914005094e+00 3.86 -1.890993945e+00 -1.890993945e+00 3.88 -1.864676482e+00 -1.864676482e+00 3.90 -1.835444173e+00 -1.835444173e+00 3.92 -1.803895090e+00 -1.803895090e+00 3.94 -1.770539453e+00 -1.770539453e+00 3.96 -1.735960519e+00 -1.735960519e+00 3.98 -1.700714315e+00 -1.700714315e+00 4.00 -1.665608262e+00 -1.665608262e+00 4.02 -1.631820562e+00 -1.631820562e+00 4.04 -1.600493022e+00 -1.600493022e+00 4.06 -1.572719445e+00 -1.572719445e+00 4.08 -1.548980685e+00 -1.548980685e+00 4.10 -1.529132244e+00 -1.529132244e+00 4.12 -1.512623988e+00 -1.512623988e+00 4.14 -1.498568187e+00 -1.498568187e+00 4.16 -1.486091600e+00 -1.486091600e+00 4.18 -1.474328920e+00 -1.474328920e+00 4.20 -1.462497251e+00 -1.462497251e+00 4.22 -1.450461821e+00 -1.450461821e+00 4.24 -1.438212670e+00 -1.438212670e+00 4.26 -1.425640790e+00 -1.425640790e+00 4.28 -1.412633593e+00 -1.412633593e+00 4.30 -1.399075240e+00 -1.399075240e+00 4.32 -1.384841811e+00 -1.384841811e+00 4.34 -1.369831554e+00 -1.369831554e+00 4.36 -1.354233283e+00 -1.354233283e+00 4.38 -1.338349728e+00 -1.338349728e+00 4.40 -1.322481748e+00 -1.322481748e+00 4.42 -1.306927405e+00 -1.306927405e+00 4.44 -1.291986043e+00 -1.291986043e+00 4.46 -1.277886406e+00 -1.277886406e+00 4.48 -1.264465712e+00 -1.264465712e+00 4.50 -1.251226781e+00 -1.251226781e+00 4.52 -1.237653917e+00 -1.237653917e+00 4.54 -1.223236415e+00 -1.223236415e+00 4.56 -1.207468499e+00 -1.207468499e+00 4.58 -1.189669179e+00 -1.189669179e+00 4.60 -1.168905702e+00 -1.168905702e+00 4.62 -1.144952811e+00 -1.144952811e+00 4.64 -1.118052771e+00 -1.118052771e+00 4.66 -1.088463003e+00 -1.088463003e+00 4.68 -1.056500804e+00 -1.056500804e+00 4.70 -1.022950379e+00 -1.022950379e+00 4.72 -9.890654226e-01 -9.890654226e-01 4.74 -9.560189044e-01 -9.560189044e-01 4.76 -9.242923967e-01 -9.242923967e-01 4.78 -8.941545225e-01 -8.941545225e-01 4.80 -8.658699862e-01 -8.658699862e-01 4.82 -8.397820692e-01 -8.397820692e-01 4.84 -8.162833983e-01 -8.162833983e-01 4.86 -7.957582690e-01 -7.957582690e-01 4.88 -7.785104214e-01 -7.785104214e-01 4.90 -7.648013417e-01 -7.648013417e-01 4.92 -7.547303140e-01 -7.547303140e-01 4.94 -7.473561994e-01 -7.473561994e-01 4.96 -7.413690114e-01 -7.413690114e-01 4.98 -7.354606191e-01 -7.354606191e-01 5.00 -7.283382073e-01 -7.283382073e-01 5.02 -7.188931792e-01 -7.188931792e-01 5.04 -7.064087249e-01 -7.064087249e-01 5.06 -6.914358725e-01 -6.914358725e-01 5.08 -6.747975796e-01 -6.747975796e-01 5.10 -6.573268912e-01 -6.573268912e-01 5.12 -6.398573354e-01 -6.398573354e-01 5.14 -6.232101601e-01 -6.232101601e-01 5.16 -6.076751555e-01 -6.076751555e-01 5.18 -5.924120720e-01 -5.924120720e-01 5.20 -5.764432234e-01 -5.764432234e-01 5.22 -5.587931284e-01 -5.587931284e-01 5.24 -5.384881000e-01 -5.384881000e-01 5.26 -5.146237773e-01 -5.146237773e-01 5.28 -4.881538947e-01 -4.881538947e-01 5.30 -4.616938891e-01 -4.616938891e-01 5.32 -4.378205395e-01 -4.378205395e-01 5.34 -4.191216755e-01 -4.191216755e-01 5.36 -4.081960022e-01 -4.081960022e-01 5.38 -4.047904706e-01 -4.047904706e-01 5.40 -3.997048532e-01 -3.997048532e-01 5.42 -3.918579590e-01 -3.918579590e-01 5.44 -3.817784052e-01 -3.817784052e-01 5.46 -3.700601803e-01 -3.700601803e-01 5.48 -3.572959078e-01 -3.572959078e-01 5.50 -3.440784358e-01 -3.440784358e-01 5.52 -3.310020076e-01 -3.310020076e-01 5.54 -3.186542682e-01 -3.186542682e-01 5.56 -3.074226587e-01 -3.074226587e-01 5.58 -2.974778248e-01 -2.974778248e-01 5.60 -2.889841414e-01 -2.889841414e-01 5.62 -2.821094682e-01 -2.821094682e-01 5.64 -2.770207635e-01 -2.770207635e-01 5.66 -2.738798127e-01 -2.738798127e-01 5.68 -2.726719773e-01 -2.726719773e-01 5.70 -2.727610230e-01 -2.727610230e-01 5.72 -2.734066191e-01 -2.734066191e-01 5.74 -2.738809311e-01 -2.738809311e-01 5.76 -2.734767443e-01 -2.734767443e-01 5.78 -2.715095570e-01 -2.715095570e-01 5.80 -2.673149367e-01 -2.673149367e-01 5.82 -2.606868767e-01 -2.606868767e-01 5.84 -2.522308887e-01 -2.522308887e-01 5.86 -2.426185066e-01 -2.426185066e-01 5.88 -2.325193160e-01 -2.325193160e-01 5.90 -2.226095395e-01 -2.226095395e-01 5.92 -2.135754147e-01 -2.135754147e-01 5.94 -2.060612950e-01 -2.060612950e-01 5.96 -1.997511540e-01 -1.997511540e-01 5.98 -1.935058972e-01 -1.935058972e-01 6.00 -1.861553926e-01 -1.861553926e-01