# 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 = Ti3W # 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 3.743824209e+02 nan nan 0.98 3.365908407e+02 nan nan 1.00 3.026632613e+02 nan nan 1.02 2.715196086e+02 nan nan 1.04 2.435608746e+02 nan nan 1.06 2.186333262e+02 3.473359702e+02 nan 1.08 1.962055413e+02 3.152249611e+02 3.622995109e+02 1.10 1.762209390e+02 2.861488693e+02 3.284459845e+02 1.12 1.587889057e+02 2.597827312e+02 2.984844658e+02 1.14 1.434182270e+02 2.353465931e+02 2.724710245e+02 1.16 1.292023787e+02 2.131601019e+02 2.487296774e+02 1.18 1.165705082e+02 1.933531772e+02 2.267886574e+02 1.20 1.052387511e+02 1.753579555e+02 2.069110481e+02 1.22 9.496065889e+01 1.589206315e+02 1.894652761e+02 1.24 8.542791994e+01 1.439271265e+02 1.748340127e+02 1.26 7.665392723e+01 1.303998571e+02 1.623461355e+02 1.28 6.868749240e+01 1.182543997e+02 1.513798768e+02 1.30 6.163466565e+01 1.072472574e+02 1.409302309e+02 1.32 5.556835902e+01 9.701281167e+01 1.304338030e+02 1.34 5.016112610e+01 8.759955090e+01 1.198246749e+02 1.36 4.530624000e+01 7.906710945e+01 1.100753601e+02 1.38 4.090982176e+01 7.146495404e+01 1.012679118e+02 1.40 3.697507212e+01 6.455831557e+01 9.327262924e+01 1.42 3.344138303e+01 5.836039288e+01 8.599084764e+01 1.44 3.022435755e+01 5.286561526e+01 7.956822624e+01 1.46 2.729319925e+01 4.799265215e+01 7.397966352e+01 1.48 2.458708075e+01 4.364322214e+01 6.904840131e+01 1.50 2.198392383e+01 3.962621197e+01 6.464367198e+01 1.52 1.952964689e+01 3.586660241e+01 6.022662318e+01 1.54 1.730796053e+01 3.240621174e+01 5.569542237e+01 1.56 1.532342616e+01 2.919644892e+01 5.111880886e+01 1.58 1.354636618e+01 2.624166544e+01 4.669079455e+01 1.60 1.198464413e+01 2.359039259e+01 4.254928002e+01 1.62 1.074508955e+01 2.125263743e+01 3.860445986e+01 1.64 9.679969013e+00 1.915152996e+01 3.516406460e+01 1.66 8.713095918e+00 1.722506298e+01 3.219882071e+01 1.68 7.766067449e+00 1.545214792e+01 2.958671517e+01 1.70 6.828191466e+00 1.384873281e+01 2.718011885e+01 1.72 5.935898076e+00 1.242783137e+01 2.488435507e+01 1.74 5.129313918e+00 1.113945320e+01 2.281694873e+01 1.76 4.389693166e+00 9.962474722e+00 2.096661993e+01 1.78 3.696804886e+00 8.871882376e+00 1.921146348e+01 1.80 3.075372894e+00 7.847328282e+00 1.746864256e+01 1.82 2.561745831e+00 6.875341212e+00 1.577864469e+01 1.84 2.100937823e+00 6.009282615e+00 1.419240893e+01 1.86 1.649253338e+00 5.284921316e+00 1.271874837e+01 1.88 1.219747322e+00 4.690635826e+00 1.123786626e+01 1.90 8.706121771e-01 4.199195036e+00 9.767778662e+00 1.92 6.228974888e-01 3.806578705e+00 8.390694016e+00 1.94 3.932310042e-01 3.501191290e+00 7.205301495e+00 1.96 8.038842062e-02 3.240738585e+00 6.234320282e+00 1.98 -1.880831381e-01 2.977056492e+00 5.383148625e+00 2.00 -4.009981904e-01 2.685573136e+00 4.602737129e+00 2.02 -5.746549466e-01 2.376306783e+00 3.854697687e+00 2.04 -6.812832681e-01 2.111475106e+00 3.193268667e+00 2.06 -7.364071331e-01 1.857898074e+00 2.552964368e+00 2.08 -9.823743834e-01 1.556594029e+00 1.863364298e+00 2.10 -1.431651110e+00 1.176635032e+00 1.332354722e+00 2.12 -1.894808656e+00 6.871474622e-01 9.409827963e-01 2.14 -2.314155406e+00 2.740192169e-01 6.549065807e-01 2.16 -2.657046079e+00 -6.798615771e-02 4.427694117e-01 2.18 -2.943888860e+00 -3.664136542e-01 2.857598795e-01 2.20 -3.242516289e+00 -6.580878577e-01 1.584475701e-01 2.22 -3.579041129e+00 -9.291663012e-01 3.740477448e-02 2.24 -3.913519077e+00 -1.295017807e+00 -9.914391975e-02 2.26 -4.197977717e+00 -1.761656223e+00 -2.655861872e-01 2.28 -4.421917632e+00 -2.130775431e+00 -4.391996022e-01 2.30 -4.618738774e+00 -2.428335607e+00 -7.913477815e-01 2.32 -4.810742552e+00 -2.695554731e+00 -1.463407317e+00 2.34 -4.993914401e+00 -2.956331964e+00 -1.981096613e+00 2.36 -5.163489033e+00 -3.226888199e+00 -2.409046556e+00 2.38 -5.305099999e+00 -3.503847869e+00 -2.771014534e+00 2.40 -5.411360999e+00 -3.771957250e+00 -3.099522106e+00 2.42 -5.482770533e+00 -4.011021554e+00 -3.422275605e+00 2.44 -5.531753703e+00 -4.217449759e+00 -3.750493307e+00 2.46 -5.571281737e+00 -4.413267103e+00 -4.066206562e+00 2.48 -5.610053939e+00 -4.611306548e+00 -4.346873679e+00 2.50 -5.644581673e+00 -4.801739326e+00 -4.572768852e+00 2.52 -5.671440110e+00 -4.978609571e+00 -4.746123740e+00 2.54 -5.688421331e+00 -5.133780510e+00 -4.887360104e+00 2.56 -5.694321793e+00 -5.264172205e+00 -4.999239081e+00 2.58 -5.698950773e+00 -5.367394236e+00 -5.074908343e+00 2.60 -5.707147029e+00 -5.451620661e+00 -5.130352839e+00 2.62 -5.713808568e+00 -5.531336392e+00 -5.173097645e+00 2.64 -5.715554827e+00 -5.609223397e+00 -5.212551980e+00 2.66 -5.706394279e+00 -5.677734642e+00 -5.256501496e+00 2.68 -5.681387271e+00 -5.726821541e+00 -5.309835870e+00 2.70 -5.650061479e+00 -5.757672619e+00 -5.370713732e+00 2.72 -5.613798609e+00 -5.775620446e+00 -5.433235387e+00 2.74 -5.566298908e+00 -5.787819645e+00 -5.492410195e+00 2.76 -5.515302442e+00 -5.799302128e+00 -5.553076732e+00 2.78 -5.474023996e+00 -5.808592531e+00 -5.618728016e+00 2.80 -5.437639618e+00 -5.814797605e+00 -5.670706299e+00 2.82 -5.391569388e+00 -5.818236196e+00 -5.689581262e+00 2.84 -5.334235638e+00 -5.820840988e+00 -5.701078868e+00 2.86 -5.265314553e+00 -5.814161660e+00 -5.706032973e+00 2.88 -5.179177837e+00 -5.793575810e+00 -5.706698992e+00 2.90 -5.070639387e+00 -5.763096643e+00 -5.712358875e+00 2.92 -4.965870210e+00 -5.728896277e+00 -5.717590860e+00 2.94 -4.874161117e+00 -5.693909207e+00 -5.719570622e+00 2.96 -4.797279679e+00 -5.655731877e+00 -5.715055195e+00 2.98 -4.722214576e+00 -5.611485092e+00 -5.698594537e+00 3.00 -4.655607578e+00 -5.566912092e+00 -5.669864014e+00 3.02 -4.588777991e+00 -5.517734361e+00 -5.630333644e+00 3.04 -4.535796266e+00 -5.456842666e+00 -5.582461249e+00 3.06 -4.486532987e+00 -5.391170943e+00 -5.534878554e+00 3.08 -4.436541302e+00 -5.315898950e+00 -5.489617843e+00 3.10 -4.364353501e+00 -5.245116125e+00 -5.448025058e+00 3.12 -4.286195152e+00 -5.167435373e+00 -5.406091058e+00 3.14 -4.204525128e+00 -5.073016793e+00 -5.361216860e+00 3.16 -4.117802195e+00 -4.972920056e+00 -5.314940149e+00 3.18 -4.026662844e+00 -4.873820029e+00 -5.265439905e+00 3.20 -3.931006032e+00 -4.777341777e+00 -5.215540593e+00 3.22 -3.829015380e+00 -4.688515601e+00 -5.167743126e+00 3.24 -3.718267849e+00 -4.619977874e+00 -5.116739305e+00 3.26 -3.594788792e+00 -4.563670389e+00 -5.064499991e+00 3.28 -3.461393578e+00 -4.512574377e+00 -5.011767556e+00 3.30 -3.326455312e+00 -4.463674769e+00 -4.956673824e+00 3.32 -3.202337695e+00 -4.412891808e+00 -4.899127896e+00 3.34 -3.089317622e+00 -4.362395289e+00 -4.839299206e+00 3.36 -2.989439016e+00 -4.301056497e+00 -4.785790469e+00 3.38 -2.898439189e+00 -4.226689933e+00 -4.742572501e+00 3.40 -2.807449899e+00 -4.122717106e+00 -4.704224721e+00 3.42 -2.712202967e+00 -4.018316755e+00 -4.665797619e+00 3.44 -2.611523777e+00 -3.914205598e+00 -4.620604427e+00 3.46 -2.506939547e+00 -3.807343538e+00 -4.550010970e+00 3.48 -2.402138132e+00 -3.696097769e+00 -4.449502773e+00 3.50 -2.305141938e+00 -3.582004605e+00 -4.329637818e+00 3.52 -2.227505315e+00 -3.471110404e+00 -4.197967209e+00 3.54 -2.163364182e+00 -3.371611654e+00 -4.066702565e+00 3.56 -2.101410975e+00 -3.285854612e+00 -3.941894355e+00 3.58 -2.040746198e+00 -3.210607452e+00 -3.830794687e+00 3.60 -1.985861204e+00 -3.143592576e+00 -3.727044718e+00 3.62 -1.939356753e+00 -3.080543324e+00 -3.623347832e+00 3.64 -1.901036218e+00 -3.012825633e+00 -3.520659413e+00 3.66 -1.869222276e+00 -2.936221750e+00 -3.420078241e+00 3.68 -1.842910995e+00 -2.854025642e+00 -3.322597908e+00 3.70 -1.821582238e+00 -2.770541304e+00 -3.228839911e+00 3.72 -1.805049184e+00 -2.690868233e+00 -3.139392617e+00 3.74 -1.793299636e+00 -2.619540889e+00 -3.054655938e+00 3.76 -1.786255086e+00 -2.558005102e+00 -2.974310816e+00 3.78 -1.783414853e+00 -2.506963604e+00 -2.897736556e+00 3.80 -1.784236165e+00 -2.466158914e+00 -2.824002645e+00 3.82 -1.787889374e+00 -2.429453185e+00 -2.751661210e+00 3.84 -1.793358076e+00 -2.393897151e+00 -2.679849099e+00 3.86 -1.799499477e+00 -2.358869533e+00 -2.608712066e+00 3.88 -1.804826690e+00 -2.324973800e+00 -2.540227758e+00 3.90 -1.808115550e+00 -2.293606024e+00 -2.476935136e+00 3.92 -1.808388815e+00 -2.263044773e+00 -2.416829704e+00 3.94 -1.805034727e+00 -2.228851975e+00 -2.354164255e+00 3.96 -1.798199282e+00 -2.189673526e+00 -2.286054606e+00 3.98 -1.788123619e+00 -2.148332777e+00 -2.215500034e+00 4.00 -1.775320573e+00 -2.108073921e+00 -2.146049771e+00 4.02 -1.760413364e+00 -2.071053360e+00 -2.079798147e+00 4.04 -1.744337000e+00 -2.037998621e+00 -2.018933558e+00 4.06 -1.728252423e+00 -2.008570879e+00 -1.965260967e+00 4.08 -1.713124991e+00 -1.982387983e+00 -1.920774710e+00 4.10 -1.699699588e+00 -1.959073522e+00 -1.887534842e+00 4.12 -1.688824703e+00 -1.938182957e+00 -1.866687451e+00 4.14 -1.680451521e+00 -1.919190311e+00 -1.855647080e+00 4.16 -1.673835188e+00 -1.901516557e+00 -1.850945164e+00 4.18 -1.668214952e+00 -1.884509223e+00 -1.849124549e+00 4.20 -1.662873596e+00 -1.867451212e+00 -1.846708892e+00 4.22 -1.656837884e+00 -1.849750264e+00 -1.841657799e+00 4.24 -1.649139932e+00 -1.831470790e+00 -1.834479597e+00 4.26 -1.639243419e+00 -1.813008387e+00 -1.825960136e+00 4.28 -1.626920935e+00 -1.794819169e+00 -1.817007510e+00 4.30 -1.611882493e+00 -1.777404231e+00 -1.808729409e+00 4.32 -1.593917804e+00 -1.761288470e+00 -1.802069284e+00 4.34 -1.572954214e+00 -1.746928132e+00 -1.797496207e+00 4.36 -1.548847043e+00 -1.734312493e+00 -1.795600176e+00 4.38 -1.522007867e+00 -1.723187056e+00 -1.796851246e+00 4.40 -1.493025705e+00 -1.713244135e+00 -1.799992105e+00 4.42 -1.462542878e+00 -1.704152824e+00 -1.802686287e+00 4.44 -1.431036362e+00 -1.695577924e+00 -1.804900781e+00 4.46 -1.398627183e+00 -1.687205673e+00 -1.806664541e+00 4.48 -1.365429291e+00 -1.678840252e+00 -1.807872580e+00 4.50 -1.332040915e+00 -1.670589083e+00 -1.808393381e+00 4.52 -1.299812178e+00 -1.662605122e+00 -1.808100837e+00 4.54 -1.269390778e+00 -1.655022286e+00 -1.806847872e+00 4.56 -1.239351372e+00 -1.647955102e+00 -1.804473360e+00 4.58 -1.206058747e+00 -1.641340711e+00 -1.800804527e+00 4.60 -1.168084313e+00 -1.634788646e+00 -1.795692880e+00 4.62 -1.126439508e+00 -1.627802723e+00 -1.789233486e+00 4.64 -1.082857855e+00 -1.619690227e+00 -1.781501952e+00 4.66 -1.039186028e+00 -1.609768116e+00 -1.772573764e+00 4.68 -9.970654912e-01 -1.597398389e+00 -1.762549336e+00 4.70 -9.579336515e-01 -1.582301008e+00 -1.751561093e+00 4.72 -9.230960856e-01 -1.564620818e+00 -1.739762465e+00 4.74 -8.927730603e-01 -1.544540526e+00 -1.727190521e+00 4.76 -8.661288499e-01 -1.522162012e+00 -1.713466730e+00 4.78 -8.418932695e-01 -1.497671459e+00 -1.698192494e+00 4.80 -8.186568655e-01 -1.471272924e+00 -1.680944863e+00 4.82 -7.948754105e-01 -1.442817769e+00 -1.661271184e+00 4.84 -7.690874234e-01 -1.411724880e+00 -1.638703355e+00 4.86 -7.411901373e-01 -1.377174519e+00 -1.612764609e+00 4.88 -7.107334127e-01 -1.338426190e+00 -1.583346688e+00 4.90 -6.775970511e-01 -1.294955379e+00 -1.551056621e+00 4.92 -6.416497267e-01 -1.246272550e+00 -1.516591959e+00 4.94 -6.022754117e-01 -1.193827790e+00 -1.480665460e+00 4.96 -5.588852893e-01 -1.140627342e+00 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