# 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 = MoTi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 9.657821133e+02 nan nan 0.98 8.573038940e+02 nan nan 1.00 7.613962096e+02 nan nan 1.02 6.762946606e+02 nan nan 1.04 6.008703999e+02 nan nan 1.06 5.340077791e+02 8.926001267e+02 nan 1.08 4.747873452e+02 8.002107247e+02 9.312917553e+02 1.10 4.223410924e+02 7.174980281e+02 8.373542803e+02 1.12 3.755750834e+02 6.432702577e+02 7.528535984e+02 1.14 3.340744521e+02 5.769070818e+02 6.769847335e+02 1.16 2.970996802e+02 5.177414115e+02 6.089378532e+02 1.18 2.643474024e+02 4.647621304e+02 5.481359244e+02 1.20 2.350022593e+02 4.171864897e+02 4.937329195e+02 1.22 2.087871067e+02 3.746231676e+02 4.449761684e+02 1.24 1.854897874e+02 3.363850096e+02 4.012655249e+02 1.26 1.649235557e+02 3.020422794e+02 3.616656244e+02 1.28 1.466525043e+02 2.712840645e+02 3.254142757e+02 1.30 1.304973561e+02 2.437303891e+02 2.930344508e+02 1.32 1.163507848e+02 2.188381631e+02 2.641330455e+02 1.34 1.037826879e+02 1.963847344e+02 2.381626921e+02 1.36 9.241897808e+01 1.761971325e+02 2.146446988e+02 1.38 8.228331812e+01 1.582565594e+02 1.933566499e+02 1.40 7.325015742e+01 1.422486027e+02 1.741546749e+02 1.42 6.515951405e+01 1.278332299e+02 1.568330340e+02 1.44 5.793906771e+01 1.148398594e+02 1.412148344e+02 1.46 5.153273808e+01 1.031244033e+02 1.271876759e+02 1.48 4.583284201e+01 9.257940456e+01 1.146008512e+02 1.50 4.068713040e+01 8.307769700e+01 1.032519995e+02 1.52 3.604756311e+01 7.450632702e+01 9.295698083e+01 1.54 3.192838607e+01 6.680284474e+01 8.365067934e+01 1.56 2.835099773e+01 5.992197660e+01 7.528680787e+01 1.58 2.521558331e+01 5.384576209e+01 6.784755172e+01 1.60 2.239333928e+01 4.847101828e+01 6.122919882e+01 1.62 1.989866255e+01 4.362768489e+01 5.528834072e+01 1.64 1.769911301e+01 3.921536514e+01 4.993702499e+01 1.66 1.579397522e+01 3.524108701e+01 4.513681084e+01 1.68 1.409265347e+01 3.166325635e+01 4.082096428e+01 1.70 1.255857252e+01 2.838734226e+01 3.699056075e+01 1.72 1.118296214e+01 2.538884146e+01 3.347148230e+01 1.74 9.932276489e+00 2.268339090e+01 3.018327137e+01 1.76 8.790407273e+00 2.030107435e+01 2.719149522e+01 1.78 7.767271529e+00 1.818793423e+01 2.448323653e+01 1.80 6.851017984e+00 1.628266868e+01 2.207302778e+01 1.82 6.043587170e+00 1.454824924e+01 1.995844472e+01 1.84 5.306894280e+00 1.298905168e+01 1.803414672e+01 1.86 4.554949575e+00 1.159357245e+01 1.623402595e+01 1.88 3.860395695e+00 1.034129666e+01 1.460094913e+01 1.90 3.080893263e+00 9.214569825e+00 1.311499270e+01 1.92 2.364239383e+00 8.171807878e+00 1.175471712e+01 1.94 1.380499891e+00 7.213666602e+00 1.048890416e+01 1.96 5.542715895e-01 6.316903128e+00 9.294422671e+00 1.98 -1.375754285e-01 5.415842545e+00 8.199584663e+00 2.00 -6.616990334e-01 4.636601748e+00 7.213137848e+00 2.02 -1.068444918e+00 3.972322747e+00 6.329212190e+00 2.04 -1.353332599e+00 3.408177514e+00 5.652378185e+00 2.06 -1.594961579e+00 2.866132677e+00 5.038794589e+00 2.08 -1.837563608e+00 2.331067125e+00 4.176583373e+00 2.10 -2.076699532e+00 1.811301682e+00 3.429041851e+00 2.12 -2.300482657e+00 1.262685963e+00 2.775996056e+00 2.14 -2.518839770e+00 7.783480687e-01 2.214536564e+00 2.16 -2.750511053e+00 1.307571575e-01 1.743699967e+00 2.18 -2.992586356e+00 -5.203218885e-01 1.261950048e+00 2.20 -3.231120409e+00 -1.066744930e+00 6.189292818e-01 2.22 -3.455547581e+00 -1.543539239e+00 2.138019845e-02 2.24 -3.666975514e+00 -1.918156996e+00 -4.615817558e-01 2.26 -3.880191176e+00 -2.226637130e+00 -8.724922296e-01 2.28 -4.095263649e+00 -2.480081902e+00 -1.242984857e+00 2.30 -4.280818557e+00 -2.696073115e+00 -1.589634936e+00 2.32 -4.436474645e+00 -2.893054709e+00 -1.911307515e+00 2.34 -4.571586152e+00 -3.080961229e+00 -2.208443735e+00 2.36 -4.683799375e+00 -3.261150732e+00 -2.483947775e+00 2.38 -4.775742974e+00 -3.432901337e+00 -2.740216862e+00 2.40 -4.857576375e+00 -3.605528644e+00 -2.979936153e+00 2.42 -4.939988371e+00 -3.785682504e+00 -3.202612180e+00 2.44 -5.012428596e+00 -3.966467020e+00 -3.408971788e+00 2.46 -5.072631838e+00 -4.138141068e+00 -3.603839605e+00 2.48 -5.122331872e+00 -4.293015451e+00 -3.792879708e+00 2.50 -5.165219040e+00 -4.429374470e+00 -3.974887476e+00 2.52 -5.203971513e+00 -4.552206579e+00 -4.141818616e+00 2.54 -5.242310944e+00 -4.663923522e+00 -4.288305475e+00 2.56 -5.284462708e+00 -4.767408756e+00 -4.415489154e+00 2.58 -5.324789529e+00 -4.864234213e+00 -4.534458065e+00 2.60 -5.348523639e+00 -4.956299103e+00 -4.655800031e+00 2.62 -5.352336732e+00 -5.045539242e+00 -4.781343536e+00 2.64 -5.341614948e+00 -5.129507726e+00 -4.903385786e+00 2.66 -5.314105187e+00 -5.196122531e+00 -5.010800987e+00 2.68 -5.270099209e+00 -5.245224149e+00 -5.092297062e+00 2.70 -5.228547923e+00 -5.279382027e+00 -5.151158107e+00 2.72 -5.195402256e+00 -5.300780265e+00 -5.179806760e+00 2.74 -5.154498178e+00 -5.314301645e+00 -5.181585559e+00 2.76 -5.115075834e+00 -5.323289160e+00 -5.172564792e+00 2.78 -5.078993475e+00 -5.328683993e+00 -5.185649056e+00 2.80 -5.032633183e+00 -5.329486309e+00 -5.206056255e+00 2.82 -4.976576470e+00 -5.325400678e+00 -5.224722891e+00 2.84 -4.913610293e+00 -5.312401053e+00 -5.234668840e+00 2.86 -4.827987882e+00 -5.287300648e+00 -5.236017867e+00 2.88 -4.723319703e+00 -5.256013416e+00 -5.235048145e+00 2.90 -4.622493814e+00 -5.230261968e+00 -5.235988548e+00 2.92 -4.530310338e+00 -5.212442842e+00 -5.237315721e+00 2.94 -4.440762508e+00 -5.196245410e+00 -5.235704114e+00 2.96 -4.348970496e+00 -5.174367953e+00 -5.229069409e+00 2.98 -4.254231312e+00 -5.141654773e+00 -5.216564484e+00 3.00 -4.154886616e+00 -5.098965183e+00 -5.198708850e+00 3.02 -4.045399528e+00 -5.050951421e+00 -5.175636070e+00 3.04 -3.920026326e+00 -4.998684166e+00 -5.146714745e+00 3.06 -3.780395328e+00 -4.934985400e+00 -5.111889394e+00 3.08 -3.637846558e+00 -4.862982390e+00 -5.072589867e+00 3.10 -3.497546576e+00 -4.794892350e+00 -5.031749604e+00 3.12 -3.353032924e+00 -4.726012677e+00 -4.985298703e+00 3.14 -3.212833934e+00 -4.646210815e+00 -4.929060573e+00 3.16 -3.075743871e+00 -4.553911626e+00 -4.867427917e+00 3.18 -2.938109835e+00 -4.447594349e+00 -4.805706068e+00 3.20 -2.802066178e+00 -4.337658008e+00 -4.749505788e+00 3.22 -2.667246461e+00 -4.241683543e+00 -4.700429154e+00 3.24 -2.537748949e+00 -4.178451544e+00 -4.654063524e+00 3.26 -2.419956459e+00 -4.132552448e+00 -4.604087072e+00 3.28 -2.322819943e+00 -4.086687074e+00 -4.544180982e+00 3.30 -2.251324512e+00 -4.036284129e+00 -4.475521482e+00 3.32 -2.206354332e+00 -3.978545299e+00 -4.402923319e+00 3.34 -2.173620148e+00 -3.913598616e+00 -4.328170902e+00 3.36 -2.141119742e+00 -3.841078310e+00 -4.247158165e+00 3.38 -2.101955810e+00 -3.757873495e+00 -4.149443239e+00 3.40 -2.058130182e+00 -3.659950965e+00 -4.031249538e+00 3.42 -2.019408751e+00 -3.545474335e+00 -3.905574015e+00 3.44 -1.997141816e+00 -3.418904605e+00 -3.779607555e+00 3.46 -1.981323075e+00 -3.289573752e+00 -3.641721215e+00 3.48 -1.959554487e+00 -3.162804198e+00 -3.485255424e+00 3.50 -1.927864171e+00 -3.038060361e+00 -3.318175882e+00 3.52 -1.885812098e+00 -2.915881778e+00 -3.136727408e+00 3.54 -1.840376885e+00 -2.797929433e+00 -2.948347274e+00 3.56 -1.799073127e+00 -2.683310479e+00 -2.761567064e+00 3.58 -1.768299470e+00 -2.570473191e+00 -2.598333519e+00 3.60 -1.745614195e+00 -2.460040484e+00 -2.460558636e+00 3.62 -1.727436029e+00 -2.355935334e+00 -2.337949923e+00 3.64 -1.714504783e+00 -2.263124738e+00 -2.230926375e+00 3.66 -1.705863560e+00 -2.184310785e+00 -2.140852490e+00 3.68 -1.699916476e+00 -2.116549492e+00 -2.068001868e+00 3.70 -1.694977937e+00 -2.054811832e+00 -2.012044295e+00 3.72 -1.689365831e+00 -1.993883245e+00 -1.971701331e+00 3.74 -1.681403750e+00 -1.933910800e+00 -1.945079518e+00 3.76 -1.669694528e+00 -1.883178269e+00 -1.929984043e+00 3.78 -1.654665489e+00 -1.850263268e+00 -1.924104672e+00 3.80 -1.637504221e+00 -1.842971163e+00 -1.925058593e+00 3.82 -1.619223839e+00 -1.847676307e+00 -1.930185489e+00 3.84 -1.600793429e+00 -1.855033110e+00 -1.937020056e+00 3.86 -1.583213593e+00 -1.862958758e+00 -1.943386408e+00 3.88 -1.567065351e+00 -1.869374228e+00 -1.947060713e+00 3.90 -1.551592317e+00 -1.872122689e+00 -1.945742827e+00 3.92 -1.535622907e+00 -1.869033607e+00 -1.937074422e+00 3.94 -1.518150228e+00 -1.858888255e+00 -1.920113946e+00 3.96 -1.498707203e+00 -1.842614866e+00 -1.897178192e+00 3.98 -1.476875845e+00 -1.821414719e+00 -1.870996942e+00 4.00 -1.452540940e+00 -1.796739324e+00 -1.844150902e+00 4.02 -1.425620395e+00 -1.770479597e+00 -1.819049493e+00 4.04 -1.396062396e+00 -1.744589956e+00 -1.797575818e+00 4.06 -1.363948430e+00 -1.721066730e+00 -1.781396018e+00 4.08 -1.329076612e+00 -1.700769691e+00 -1.770414746e+00 4.10 -1.290960349e+00 -1.683296753e+00 -1.762668623e+00 4.12 -1.249433440e+00 -1.667830787e+00 -1.756338307e+00 4.14 -1.205263957e+00 -1.653218414e+00 -1.750294143e+00 4.16 -1.159702068e+00 -1.638248503e+00 -1.743511356e+00 4.18 -1.114200344e+00 -1.621660129e+00 -1.734965083e+00 4.20 -1.070340615e+00 -1.602274285e+00 -1.723842046e+00 4.22 -1.029308504e+00 -1.580025836e+00 -1.710095737e+00 4.24 -9.919274457e-01 -1.555479346e+00 -1.693244846e+00 4.26 -9.583101290e-01 -1.529276282e+00 -1.672711367e+00 4.28 -9.282192022e-01 -1.502097945e+00 -1.647886654e+00 4.30 -9.013231174e-01 -1.474693081e+00 -1.618325430e+00 4.32 -8.774315040e-01 -1.447893604e+00 -1.586352308e+00 4.34 -8.565374455e-01 -1.422425633e+00 -1.556119761e+00 4.36 -8.382656904e-01 -1.398506980e+00 -1.531039872e+00 4.38 -8.217500490e-01 -1.376268269e+00 -1.514472947e+00 4.40 -8.059630395e-01 -1.355832835e+00 -1.505040943e+00 4.42 -7.899463553e-01 -1.337311516e+00 -1.496614453e+00 4.44 -7.731235238e-01 -1.320799547e+00 -1.488719605e+00 4.46 -7.550453164e-01 -1.306216060e+00 -1.480963737e+00 4.48 -7.353702423e-01 -1.292992389e+00 -1.472884661e+00 4.50 -7.144450211e-01 -1.280418974e+00 -1.463929204e+00 4.52 -6.928769898e-01 -1.267752765e+00 -1.453521146e+00 4.54 -6.710897734e-01 -1.254217286e+00 -1.441063729e+00 4.56 -6.492478698e-01 -1.238998995e+00 -1.425916157e+00 4.58 -6.275040798e-01 -1.221225593e+00 -1.407371306e+00 4.60 -6.059669064e-01 -1.200001739e+00 -1.384697302e+00 4.62 -5.845114377e-01 -1.175039339e+00 -1.357883431e+00 4.64 -5.630755545e-01 -1.146496607e+00 -1.327479187e+00 4.66 -5.421485496e-01 -1.114562488e+00 -1.294124317e+00 4.68 -5.224177805e-01 -1.079477576e+00 -1.258601906e+00 4.70 -5.045826230e-01 -1.042005155e+00 -1.221862469e+00 4.72 -4.892849377e-01 -1.003511171e+00 -1.185039035e+00 4.74 -4.767027876e-01 -9.653462166e-01 -1.149245639e+00 4.76 -4.664071166e-01 -9.281622819e-01 -1.114699909e+00 4.78 -4.576364699e-01 -8.923669193e-01 -1.081280726e+00 4.80 -4.496081417e-01 -8.583104152e-01 -1.048810650e+00 4.82 -4.415365297e-01 -8.259562112e-01 -1.017060421e+00 4.84 -4.328086236e-01 -7.950471831e-01 -9.857530096e-01 4.86 -4.236277796e-01 -7.653323436e-01 -9.545685431e-01 4.88 -4.133119720e-01 -7.366197823e-01 -9.232406380e-01 4.90 -4.009020762e-01 -7.088329522e-01 -8.916847743e-01 4.92 -3.854535330e-01 -6.819213317e-01 -8.598251035e-01 4.94 -3.660082608e-01 -6.557373370e-01 -8.275615832e-01 4.96 -3.416138882e-01 -6.300464651e-01 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