# 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 = Mo3Ti # 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 1.090084330e+03 nan nan 0.98 9.719742883e+02 nan nan 1.00 8.674373095e+02 nan nan 1.02 7.742076916e+02 nan nan 1.04 6.910747640e+02 nan nan 1.06 6.168855498e+02 1.010194866e+03 nan 1.08 5.510165884e+02 9.092794449e+02 1.055677133e+03 1.10 4.924727348e+02 8.190247615e+02 9.530033680e+02 1.12 4.403098360e+02 7.375702957e+02 8.602266652e+02 1.14 3.939562510e+02 6.646491232e+02 7.764674946e+02 1.16 3.527856575e+02 5.993446835e+02 7.012515453e+02 1.18 3.163132119e+02 5.406076794e+02 6.335353659e+02 1.20 2.837375402e+02 4.878760047e+02 5.730619288e+02 1.22 2.544524789e+02 4.405701439e+02 5.187236518e+02 1.24 2.284550676e+02 3.978977097e+02 4.698756623e+02 1.26 2.053281261e+02 3.595000616e+02 4.260240511e+02 1.28 1.845545969e+02 3.250847209e+02 3.858964266e+02 1.30 1.660624217e+02 2.941885244e+02 3.498330015e+02 1.32 1.495934636e+02 2.662440342e+02 3.175474600e+02 1.34 1.348358872e+02 2.409107580e+02 2.884314820e+02 1.36 1.213866605e+02 2.180085639e+02 2.619839109e+02 1.38 1.092258428e+02 1.975274884e+02 2.379532061e+02 1.40 9.822374251e+01 1.792166150e+02 2.160759673e+02 1.42 8.831022115e+01 1.626430097e+02 1.961342342e+02 1.44 7.943881121e+01 1.476439591e+02 1.780346720e+02 1.46 7.154927137e+01 1.339866076e+02 1.616765073e+02 1.48 6.433402234e+01 1.214636414e+02 1.469460764e+02 1.50 5.787778087e+01 1.101066537e+02 1.335900477e+02 1.52 5.206232049e+01 9.983952490e+01 1.213950655e+02 1.54 4.686148340e+01 9.049334300e+01 1.102827607e+02 1.56 4.225397744e+01 8.207286422e+01 1.002644269e+02 1.58 3.814718019e+01 7.450920417e+01 9.132265635e+01 1.60 3.437803532e+01 6.774153684e+01 8.334758237e+01 1.62 3.092990917e+01 6.154605617e+01 7.615495382e+01 1.64 2.781874615e+01 5.590681567e+01 6.962230698e+01 1.66 2.500204426e+01 5.082952561e+01 6.372696428e+01 1.68 2.246607959e+01 4.621596754e+01 5.830713172e+01 1.70 2.020385866e+01 4.195270394e+01 5.332702864e+01 1.72 1.812682343e+01 3.802866989e+01 4.876726439e+01 1.74 1.621455072e+01 3.449981635e+01 4.455498530e+01 1.76 1.446102376e+01 3.134918125e+01 4.066029462e+01 1.78 1.287560329e+01 2.849312536e+01 3.708307360e+01 1.80 1.143726996e+01 2.590240967e+01 3.390677521e+01 1.82 1.013499671e+01 2.350020369e+01 3.097472781e+01 1.84 9.014277673e+00 2.142700487e+01 2.838270633e+01 1.86 7.956926648e+00 1.953922978e+01 2.592404478e+01 1.88 6.992244659e+00 1.780795453e+01 2.367667626e+01 1.90 6.114580175e+00 1.623002800e+01 2.160603837e+01 1.92 5.322315619e+00 1.473805895e+01 1.966421165e+01 1.94 4.593779422e+00 1.329460741e+01 1.778901894e+01 1.96 3.905290280e+00 1.186922050e+01 1.599945772e+01 1.98 3.228388743e+00 1.050707853e+01 1.433549547e+01 2.00 2.648566714e+00 9.258768615e+00 1.281171787e+01 2.02 1.858905694e+00 8.136212089e+00 1.144781560e+01 2.04 8.142106996e-01 7.117592663e+00 1.030363080e+01 2.06 -1.636896226e-01 6.177626496e+00 9.309515344e+00 2.08 -9.531669186e-01 5.308757455e+00 8.311990724e+00 2.10 -1.594782280e+00 4.526749881e+00 7.349325499e+00 2.12 -2.129357494e+00 3.833684205e+00 6.424557490e+00 2.14 -2.617113844e+00 3.204460021e+00 5.572222564e+00 2.16 -3.086017105e+00 2.614902063e+00 4.817719951e+00 2.18 -3.528626445e+00 1.661673213e+00 4.128483954e+00 2.20 -3.931309149e+00 9.319174334e-01 3.460018689e+00 2.22 -4.292630669e+00 5.034174342e-02 2.732478917e+00 2.24 -4.616375542e+00 -6.447552292e-01 1.644447648e+00 2.26 -4.907171843e+00 -1.214111266e+00 7.481952158e-01 2.28 -5.165447325e+00 -1.694719017e+00 -1.424898139e-02 2.30 -5.386591293e+00 -2.129189636e+00 -6.916671650e-01 2.32 -5.576646703e+00 -2.556553694e+00 -1.417182981e+00 2.34 -5.740750995e+00 -2.985204091e+00 -2.002626928e+00 2.36 -5.871144965e+00 -3.395585627e+00 -2.468519604e+00 2.38 -5.976182956e+00 -3.764301019e+00 -2.891337101e+00 2.40 -6.066073967e+00 -4.091632342e+00 -3.273372035e+00 2.42 -6.145001706e+00 -4.390531867e+00 -3.609016006e+00 2.44 -6.218768888e+00 -4.662656853e+00 -3.897489858e+00 2.46 -6.273493106e+00 -4.902082443e+00 -4.152591398e+00 2.48 -6.310893345e+00 -5.111641929e+00 -4.391425175e+00 2.50 -6.333494564e+00 -5.298919038e+00 -4.618163291e+00 2.52 -6.346133548e+00 -5.463527739e+00 -4.821643426e+00 2.54 -6.353706577e+00 -5.610353287e+00 -4.991209962e+00 2.56 -6.353616103e+00 -5.744101396e+00 -5.130964059e+00 2.58 -6.342033428e+00 -5.866370709e+00 -5.260204361e+00 2.60 -6.318559204e+00 -5.979157772e+00 -5.397061008e+00 2.62 -6.285298861e+00 -6.088759287e+00 -5.538961734e+00 2.64 -6.242461804e+00 -6.191190502e+00 -5.665394434e+00 2.66 -6.192466899e+00 -6.278491825e+00 -5.775884607e+00 2.68 -6.130623587e+00 -6.344384963e+00 -5.860911532e+00 2.70 -6.056652272e+00 -6.388502767e+00 -5.939800250e+00 2.72 -5.990228718e+00 -6.412558635e+00 -6.018876993e+00 2.74 -5.911444564e+00 -6.421657411e+00 -6.104511617e+00 2.76 -5.816968193e+00 -6.421506676e+00 -6.152267791e+00 2.78 -5.721924047e+00 -6.414080796e+00 -6.182936795e+00 2.80 -5.623234241e+00 -6.396396065e+00 -6.209834035e+00 2.82 -5.522325345e+00 -6.363843012e+00 -6.228664120e+00 2.84 -5.421077979e+00 -6.313021200e+00 -6.240524014e+00 2.86 -5.317787311e+00 -6.249326247e+00 -6.248545824e+00 2.88 -5.208874715e+00 -6.182700941e+00 -6.253840049e+00 2.90 -5.090126635e+00 -6.125196483e+00 -6.255802733e+00 2.92 -4.961138137e+00 -6.071677489e+00 -6.252983379e+00 2.94 -4.824687503e+00 -6.008059550e+00 -6.244781439e+00 2.96 -4.684300653e+00 -5.936191233e+00 -6.228546198e+00 2.98 -4.545486630e+00 -5.862728479e+00 -6.200030934e+00 3.00 -4.408707163e+00 -5.786995704e+00 -6.158324882e+00 3.02 -4.267770045e+00 -5.701494399e+00 -6.101953019e+00 3.04 -4.115733764e+00 -5.596401765e+00 -6.028526522e+00 3.06 -3.945781666e+00 -5.468748338e+00 -5.941963140e+00 3.08 -3.758997901e+00 -5.326245749e+00 -5.856075512e+00 3.10 -3.560305423e+00 -5.193039796e+00 -5.784104111e+00 3.12 -3.342532199e+00 -5.073974043e+00 -5.712266061e+00 3.14 -3.106420760e+00 -4.947581134e+00 -5.623158109e+00 3.16 -2.860210820e+00 -4.797711542e+00 -5.522164351e+00 3.18 -2.621080137e+00 -4.608153926e+00 -5.415609863e+00 3.20 -2.400770058e+00 -4.404480216e+00 -5.310272903e+00 3.22 -2.194196268e+00 -4.236443039e+00 -5.210124557e+00 3.24 -1.987063142e+00 -4.148199647e+00 -5.116183121e+00 3.26 -1.773050981e+00 -4.097761410e+00 -5.029863975e+00 3.28 -1.585900245e+00 -4.043219997e+00 -4.952315851e+00 3.30 -1.460631367e+00 -3.977974617e+00 -4.880076255e+00 3.32 -1.414481143e+00 -3.897203709e+00 -4.805382773e+00 3.34 -1.392974375e+00 -3.797951566e+00 -4.719439032e+00 3.36 -1.371675252e+00 -3.678637349e+00 -4.613092840e+00 3.38 -1.343620802e+00 -3.544141659e+00 -4.483964800e+00 3.40 -1.309055482e+00 -3.403757203e+00 -4.333884840e+00 3.42 -1.277716661e+00 -3.265192594e+00 -4.165464305e+00 3.44 -1.265374371e+00 -3.129884993e+00 -3.983234549e+00 3.46 -1.263956299e+00 -3.000206505e+00 -3.785444025e+00 3.48 -1.262639824e+00 -2.880932857e+00 -3.565539237e+00 3.50 -1.260418992e+00 -2.771229772e+00 -3.322546620e+00 3.52 -1.256143115e+00 -2.665606394e+00 -3.046048658e+00 3.54 -1.251269319e+00 -2.557951650e+00 -2.758452297e+00 3.56 -1.247785972e+00 -2.442145308e+00 -2.494597495e+00 3.58 -1.247488808e+00 -2.318919552e+00 -2.300304139e+00 3.60 -1.250393196e+00 -2.195038685e+00 -2.155973370e+00 3.62 -1.256046302e+00 -2.078191308e+00 -2.027893706e+00 3.64 -1.264637151e+00 -1.976705398e+00 -1.920160383e+00 3.66 -1.274914284e+00 -1.892712986e+00 -1.836313885e+00 3.68 -1.284860586e+00 -1.818346047e+00 -1.775019673e+00 3.70 -1.292106811e+00 -1.743234287e+00 -1.731490027e+00 3.72 -1.294266300e+00 -1.657104617e+00 -1.700843690e+00 3.74 -1.288931206e+00 -1.560236467e+00 -1.678022178e+00 3.76 -1.273983385e+00 -1.468391068e+00 -1.657358698e+00 3.78 -1.249608175e+00 -1.397812655e+00 -1.633097387e+00 3.80 -1.217224845e+00 -1.363532356e+00 -1.600330283e+00 3.82 -1.179431105e+00 -1.340952154e+00 -1.558638003e+00 3.84 -1.139380161e+00 -1.316481348e+00 -1.509758354e+00 3.86 -1.100596759e+00 -1.291400739e+00 -1.457007497e+00 3.88 -1.066417591e+00 -1.266803007e+00 -1.404153156e+00 3.90 -1.038594991e+00 -1.243490260e+00 -1.354922755e+00 3.92 -1.018404615e+00 -1.222315334e+00 -1.312674853e+00 3.94 -1.006585220e+00 -1.203670094e+00 -1.279322015e+00 3.96 -1.002776154e+00 -1.186616119e+00 -1.254911474e+00 3.98 -1.006254137e+00 -1.170050480e+00 -1.239445349e+00 4.00 -1.015004815e+00 -1.153362859e+00 -1.233016374e+00 4.02 -1.026249459e+00 -1.136660698e+00 -1.235383192e+00 4.04 -1.037129834e+00 -1.120119408e+00 -1.244039160e+00 4.06 -1.044783779e+00 -1.103947387e+00 -1.255559529e+00 4.08 -1.046634001e+00 -1.088563187e+00 -1.266699982e+00 4.10 -1.041245596e+00 -1.074625133e+00 -1.274453734e+00 4.12 -1.028797928e+00 -1.062387555e+00 -1.276756659e+00 4.14 -1.010536723e+00 -1.051700893e+00 -1.274226144e+00 4.16 -9.881709588e-01 -1.042410036e+00 -1.267976866e+00 4.18 -9.636059786e-01 -1.034360746e+00 -1.259176565e+00 4.20 -9.388057141e-01 -1.027458310e+00 -1.249133568e+00 4.22 -9.153165203e-01 -1.022131790e+00 -1.238252589e+00 4.24 -8.943994441e-01 -1.018462886e+00 -1.224774501e+00 4.26 -8.766547524e-01 -1.016184511e+00 -1.206642122e+00 4.28 -8.623947783e-01 -1.014999371e+00 -1.181661864e+00 4.30 -8.518885905e-01 -1.014595410e+00 -1.147857511e+00 4.32 -8.449709728e-01 -1.014655420e+00 -1.108774343e+00 4.34 -8.407967204e-01 -1.014833627e+00 -1.072188654e+00 4.36 -8.382557012e-01 -1.015003259e+00 -1.045539552e+00 4.38 -8.357375618e-01 -1.015169518e+00 -1.036278997e+00 4.40 -8.314515327e-01 -1.015334506e+00 -1.041004161e+00 4.42 -8.237992078e-01 -1.015499037e+00 -1.045803467e+00 4.44 -8.123269167e-01 -1.015663101e+00 -1.049709099e+00 4.46 -7.970456617e-01 -1.015692069e+00 -1.051949368e+00 4.48 -7.781538675e-01 -1.015135559e+00 -1.051815048e+00 4.50 -7.566135258e-01 -1.013563053e+00 -1.048695610e+00 4.52 -7.336357939e-01 -1.010547903e+00 -1.041973097e+00 4.54 -7.106270547e-01 -1.005659777e+00 -1.031010108e+00 4.56 -6.892890371e-01 -9.984597104e-01 -1.015141471e+00 4.58 -6.713393272e-01 -9.882400999e-01 -9.936716946e-01 4.60 -6.584409360e-01 -9.739145362e-01 -9.659655040e-01 4.62 -6.519962285e-01 -9.551171106e-01 -9.325615933e-01 4.64 -6.528612621e-01 -9.320034129e-01 -8.948684960e-01 4.66 -6.592554035e-01 -9.047344108e-01 -8.544507318e-01 4.68 -6.685089441e-01 -8.735020480e-01 -8.129886922e-01 4.70 -6.779477045e-01 -8.392774758e-01 -7.722289538e-01 4.72 -6.848302001e-01 -8.038479439e-01 -7.339493669e-01 4.74 -6.860619116e-01 -7.689587855e-01 -6.997228593e-01 4.76 -6.802667036e-01 -7.357556971e-01 -6.701064565e-01 4.78 -6.684795478e-01 -7.052040319e-01 -6.453275371e-01 4.80 -6.519023683e-01 -6.782687251e-01 -6.255959421e-01 4.82 -6.317448069e-01 -6.558623668e-01 -6.111064950e-01 4.84 -6.093727179e-01 -6.388629718e-01 -6.020421676e-01 4.86 -5.865721793e-01 -6.281299506e-01 -5.985703984e-01 4.88 -5.626084256e-01 -6.241890195e-01 -6.003726767e-01 4.90 -5.357315204e-01 -6.268875191e-01 -6.061380598e-01 4.92 -5.041724068e-01 -6.356775964e-01 -6.144324925e-01 4.94 -4.661692886e-01 -6.484360050e-01 -6.238307303e-01 4.96 -4.200486844e-01 -6.625257960e-01 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