# 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 = MoTa2Zr # 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 4.249213550e+02 4.249213550e+02 1.08 3.906189405e+02 3.906189405e+02 1.10 3.586239663e+02 3.586239663e+02 1.12 3.290757814e+02 3.290757814e+02 1.14 3.014990445e+02 3.014990445e+02 1.16 2.761528135e+02 2.761528135e+02 1.18 2.532421181e+02 2.532421181e+02 1.20 2.316546119e+02 2.316546119e+02 1.22 2.114053381e+02 2.114053381e+02 1.24 1.929115006e+02 1.929115006e+02 1.26 1.760680221e+02 1.760680221e+02 1.28 1.604798322e+02 1.604798322e+02 1.30 1.463242814e+02 1.463242814e+02 1.32 1.335922032e+02 1.335922032e+02 1.34 1.220860445e+02 1.220860445e+02 1.36 1.114739376e+02 1.114739376e+02 1.38 1.018240504e+02 1.018240504e+02 1.40 9.305443956e+01 9.305443956e+01 1.42 8.500636191e+01 8.500636191e+01 1.44 7.773277107e+01 7.773277107e+01 1.46 7.103939024e+01 7.103939024e+01 1.48 6.500831372e+01 6.500831372e+01 1.50 5.964074284e+01 5.964074284e+01 1.52 5.468387225e+01 5.468387225e+01 1.54 5.013026257e+01 5.013026257e+01 1.56 4.603367450e+01 4.603367450e+01 1.58 4.234910164e+01 4.234910164e+01 1.60 3.894130833e+01 3.894130833e+01 1.62 3.580786954e+01 3.580786954e+01 1.64 3.294001999e+01 3.294001999e+01 1.66 3.032332098e+01 3.032332098e+01 1.68 2.795797305e+01 2.795797305e+01 1.70 2.585517285e+01 2.585517285e+01 1.72 2.400048119e+01 2.400048119e+01 1.74 2.230540851e+01 2.230540851e+01 1.76 2.068351859e+01 2.068351859e+01 1.78 1.917453764e+01 1.917453764e+01 1.80 1.782789418e+01 1.782789418e+01 1.82 1.655372466e+01 1.655372466e+01 1.84 1.535555798e+01 1.535555798e+01 1.86 1.423817514e+01 1.423817514e+01 1.88 1.323438441e+01 1.323438441e+01 1.90 1.233291095e+01 1.233291095e+01 1.92 1.152165571e+01 1.152165571e+01 1.94 1.076254161e+01 1.076254161e+01 1.96 1.000359108e+01 1.000359108e+01 1.98 9.195503342e+00 9.195503342e+00 2.00 8.303536579e+00 8.303536579e+00 2.02 7.453825518e+00 7.453825518e+00 2.04 6.679025614e+00 6.679025614e+00 2.06 5.988928954e+00 5.988928954e+00 2.08 5.339970750e+00 5.339970750e+00 2.10 4.731873255e+00 4.731873255e+00 2.12 4.185844231e+00 4.185844231e+00 2.14 3.573115237e+00 3.573115237e+00 2.16 2.948297531e+00 2.948297531e+00 2.18 2.334803668e+00 2.334803668e+00 2.20 1.766722039e+00 1.766722039e+00 2.22 1.259454657e+00 1.259454657e+00 2.24 8.081615066e-01 8.081615066e-01 2.26 3.649168118e-01 3.649168118e-01 2.28 -1.533275060e-01 -1.533275060e-01 2.30 -6.079979227e-01 -6.079979227e-01 2.32 -1.096659088e+00 -1.096659088e+00 2.34 -1.647849010e+00 -1.647849010e+00 2.36 -2.201306621e+00 -2.201306621e+00 2.38 -2.749134826e+00 -2.749134826e+00 2.40 -3.248661789e+00 -3.248661789e+00 2.42 -3.667813877e+00 -3.667813877e+00 2.44 -4.054732646e+00 -4.054732646e+00 2.46 -4.394136661e+00 -4.394136661e+00 2.48 -4.702768950e+00 -4.702768950e+00 2.50 -4.984593772e+00 -4.984593772e+00 2.52 -5.244301839e+00 -5.244301839e+00 2.54 -5.482320422e+00 -5.482320422e+00 2.56 -5.698344175e+00 -5.698344175e+00 2.58 -5.893611669e+00 -5.893611669e+00 2.60 -6.073509266e+00 -6.073509266e+00 2.62 -6.244217491e+00 -6.244217491e+00 2.64 -6.418095322e+00 -6.418095322e+00 2.66 -6.580033355e+00 -6.580033355e+00 2.68 -6.721689326e+00 -6.721689326e+00 2.70 -6.841656677e+00 -6.841656677e+00 2.72 -6.945357845e+00 -6.945357845e+00 2.74 -7.029931371e+00 -7.029931371e+00 2.76 -7.102380625e+00 -7.102380625e+00 2.78 -7.165975260e+00 -7.165975260e+00 2.80 -7.221298787e+00 -7.221298787e+00 2.82 -7.261647584e+00 -7.261647584e+00 2.84 -7.288137418e+00 -7.288137418e+00 2.86 -7.304858803e+00 -7.304858803e+00 2.88 -7.312213627e+00 -7.312213627e+00 2.90 -7.304766320e+00 -7.304766320e+00 2.92 -7.282604522e+00 -7.282604522e+00 2.94 -7.252864431e+00 -7.252864431e+00 2.96 -7.220856848e+00 -7.220856848e+00 2.98 -7.185588298e+00 -7.185588298e+00 3.00 -7.142417886e+00 -7.142417886e+00 3.02 -7.089483545e+00 -7.089483545e+00 3.04 -7.027026407e+00 -7.027026407e+00 3.06 -6.958356907e+00 -6.958356907e+00 3.08 -6.889329187e+00 -6.889329187e+00 3.10 -6.827498282e+00 -6.827498282e+00 3.12 -6.773097373e+00 -6.773097373e+00 3.14 -6.713975079e+00 -6.713975079e+00 3.16 -6.634680838e+00 -6.634680838e+00 3.18 -6.523563470e+00 -6.523563470e+00 3.20 -6.398517706e+00 -6.398517706e+00 3.22 -6.289175956e+00 -6.289175956e+00 3.24 -6.214984095e+00 -6.214984095e+00 3.26 -6.157495746e+00 -6.157495746e+00 3.28 -6.096796238e+00 -6.096796238e+00 3.30 -6.032303696e+00 -6.032303696e+00 3.32 -5.964453263e+00 -5.964453263e+00 3.34 -5.894100880e+00 -5.894100880e+00 3.36 -5.822347726e+00 -5.822347726e+00 3.38 -5.750493213e+00 -5.750493213e+00 3.40 -5.680024037e+00 -5.680024037e+00 3.42 -5.612055493e+00 -5.612055493e+00 3.44 -5.546895640e+00 -5.546895640e+00 3.46 -5.484568757e+00 -5.484568757e+00 3.48 -5.424726626e+00 -5.424726626e+00 3.50 -5.365921681e+00 -5.365921681e+00 3.52 -5.306310214e+00 -5.306310214e+00 3.54 -5.244318633e+00 -5.244318633e+00 3.56 -5.178343788e+00 -5.178343788e+00 3.58 -5.108054832e+00 -5.108054832e+00 3.60 -5.034467850e+00 -5.034467850e+00 3.62 -4.958943551e+00 -4.958943551e+00 3.64 -4.882559490e+00 -4.882559490e+00 3.66 -4.804968276e+00 -4.804968276e+00 3.68 -4.725481756e+00 -4.725481756e+00 3.70 -4.644060787e+00 -4.644060787e+00 3.72 -4.560303603e+00 -4.560303603e+00 3.74 -4.474150856e+00 -4.474150856e+00 3.76 -4.390369477e+00 -4.390369477e+00 3.78 -4.317017031e+00 -4.317017031e+00 3.80 -4.265630072e+00 -4.265630072e+00 3.82 -4.221724371e+00 -4.221724371e+00 3.84 -4.174000529e+00 -4.174000529e+00 3.86 -4.120245345e+00 -4.120245345e+00 3.88 -4.058391885e+00 -4.058391885e+00 3.90 -3.986381654e+00 -3.986381654e+00 3.92 -3.900905833e+00 -3.900905833e+00 3.94 -3.797796309e+00 -3.797796309e+00 3.96 -3.676438737e+00 -3.676438737e+00 3.98 -3.539184272e+00 -3.539184272e+00 4.00 -3.391432796e+00 -3.391432796e+00 4.02 -3.239743971e+00 -3.239743971e+00 4.04 -3.086436761e+00 -3.086436761e+00 4.06 -2.932030609e+00 -2.932030609e+00 4.08 -2.778863250e+00 -2.778863250e+00 4.10 -2.636482118e+00 -2.636482118e+00 4.12 -2.515321416e+00 -2.515321416e+00 4.14 -2.418181698e+00 -2.418181698e+00 4.16 -2.336002368e+00 -2.336002368e+00 4.18 -2.260762537e+00 -2.260762537e+00 4.20 -2.188955297e+00 -2.188955297e+00 4.22 -2.121405656e+00 -2.121405656e+00 4.24 -2.058746127e+00 -2.058746127e+00 4.26 -2.000621382e+00 -2.000621382e+00 4.28 -1.946226296e+00 -1.946226296e+00 4.30 -1.894744313e+00 -1.894744313e+00 4.32 -1.845435538e+00 -1.845435538e+00 4.34 -1.797946337e+00 -1.797946337e+00 4.36 -1.752988406e+00 -1.752988406e+00 4.38 -1.711322061e+00 -1.711322061e+00 4.40 -1.673138621e+00 -1.673138621e+00 4.42 -1.638395525e+00 -1.638395525e+00 4.44 -1.607036637e+00 -1.607036637e+00 4.46 -1.578741063e+00 -1.578741063e+00 4.48 -1.552654938e+00 -1.552654938e+00 4.50 -1.527997504e+00 -1.527997504e+00 4.52 -1.503988969e+00 -1.503988969e+00 4.54 -1.479812467e+00 -1.479812467e+00 4.56 -1.454565351e+00 -1.454565351e+00 4.58 -1.427416726e+00 -1.427416726e+00 4.60 -1.397808950e+00 -1.397808950e+00 4.62 -1.365774833e+00 -1.365774833e+00 4.64 -1.331814753e+00 -1.331814753e+00 4.66 -1.296575955e+00 -1.296575955e+00 4.68 -1.260794116e+00 -1.260794116e+00 4.70 -1.225309658e+00 -1.225309658e+00 4.72 -1.191085389e+00 -1.191085389e+00 4.74 -1.158991596e+00 -1.158991596e+00 4.76 -1.129561660e+00 -1.129561660e+00 4.78 -1.103194331e+00 -1.103194331e+00 4.80 -1.080229579e+00 -1.080229579e+00 4.82 -1.060597573e+00 -1.060597573e+00 4.84 -1.043904829e+00 -1.043904829e+00 4.86 -1.029752597e+00 -1.029752597e+00 4.88 -1.017524265e+00 -1.017524265e+00 4.90 -1.006148842e+00 -1.006148842e+00 4.92 -9.945084166e-01 -9.945084166e-01 4.94 -9.816597223e-01 -9.816597223e-01 4.96 -9.667815809e-01 -9.667815809e-01 4.98 -9.490312331e-01 -9.490312331e-01 5.00 -9.275865696e-01 -9.275865696e-01 5.02 -9.024646650e-01 -9.024646650e-01 5.04 -8.744494110e-01 -8.744494110e-01 5.06 -8.443864358e-01 -8.443864358e-01 5.08 -8.131604128e-01 -8.131604128e-01 5.10 -7.816999093e-01 -7.816999093e-01 5.12 -7.509537895e-01 -7.509537895e-01 5.14 -7.217306304e-01 -7.217306304e-01 5.16 -6.937960685e-01 -6.937960685e-01 5.18 -6.664094126e-01 -6.664094126e-01 5.20 -6.388234144e-01 -6.388234144e-01 5.22 -6.102913332e-01 -6.102913332e-01 5.24 -5.800740818e-01 -5.800740818e-01 5.26 -5.474863549e-01 -5.474863549e-01 5.28 -5.130473467e-01 -5.130473467e-01 5.30 -4.787365421e-01 -4.787365421e-01 5.32 -4.465593143e-01 -4.465593143e-01 5.34 -4.184890363e-01 -4.184890363e-01 5.36 -3.965255215e-01 -3.965255215e-01 5.38 -3.808204434e-01 -3.808204434e-01 5.40 -3.659973172e-01 -3.659973172e-01 5.42 -3.517131670e-01 -3.517131670e-01 5.44 -3.380387635e-01 -3.380387635e-01 5.46 -3.250268685e-01 -3.250268685e-01 5.48 -3.127338825e-01 -3.127338825e-01 5.50 -3.012185964e-01 -3.012185964e-01 5.52 -2.905410380e-01 -2.905410380e-01 5.54 -2.807530159e-01 -2.807530159e-01 5.56 -2.718875677e-01 -2.718875677e-01 5.58 -2.640316720e-01 -2.640316720e-01 5.60 -2.572761078e-01 -2.572761078e-01 5.62 -2.517096667e-01 -2.517096667e-01 5.64 -2.474199965e-01 -2.474199965e-01 5.66 -2.444949227e-01 -2.444949227e-01 5.68 -2.429560105e-01 -2.429560105e-01 5.70 -2.424730687e-01 -2.424730687e-01 5.72 -2.425881001e-01 -2.425881001e-01 5.74 -2.428421774e-01 -2.428421774e-01 5.76 -2.427757736e-01 -2.427757736e-01 5.78 -2.419288943e-01 -2.419288943e-01 5.80 -2.398418866e-01 -2.398418866e-01 5.82 -2.362624899e-01 -2.362624899e-01 5.84 -2.314568757e-01 -2.314568757e-01 5.86 -2.257833252e-01 -2.257833252e-01 5.88 -2.196013187e-01 -2.196013187e-01 5.90 -2.132709528e-01 -2.132709528e-01 5.92 -2.071521878e-01 -2.071521878e-01 5.94 -2.015850189e-01 -2.015850189e-01 5.96 -1.963586845e-01 -1.963586845e-01 5.98 -1.905674625e-01 -1.905674625e-01 6.00 -1.832524248e-01 -1.832524248e-01