# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2002--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A--Ni-Al # implementation = 2002--Mishin-Y--Ni-Al--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Al Al Al Ni Ni Ni 0.02 3.544597607e+03 5.981300814e+02 4.116066012e+02 0.04 3.427628782e+03 5.790524515e+02 3.983631240e+02 0.06 3.313320104e+03 5.603951444e+02 3.854135274e+02 0.08 3.201640383e+03 5.421533693e+02 3.727544433e+02 0.10 3.092558429e+03 5.243223354e+02 3.603825032e+02 0.12 2.986043052e+03 5.068972515e+02 3.482943388e+02 0.14 2.882063062e+03 4.898594285e+02 3.364467743e+02 0.16 2.780587270e+03 4.731896960e+02 3.247945051e+02 0.18 2.681584487e+03 4.569134457e+02 3.134203128e+02 0.20 2.585023521e+03 4.410258088e+02 3.023207138e+02 0.22 2.490873184e+03 4.255219198e+02 2.914922278e+02 0.24 2.399081843e+03 4.103822839e+02 2.809313780e+02 0.26 2.309610297e+03 3.955961760e+02 2.706346905e+02 0.28 2.222457480e+03 3.811802570e+02 2.605986948e+02 0.30 2.137592155e+03 3.671296547e+02 2.508199231e+02 0.32 2.054983084e+03 3.534395000e+02 2.412949108e+02 0.34 1.974599034e+03 3.401049270e+02 2.320201958e+02 0.36 1.896408771e+03 3.271210726e+02 2.229923191e+02 0.38 1.820381064e+03 3.144830767e+02 2.142078240e+02 0.40 1.746484682e+03 3.021860817e+02 2.056632565e+02 0.42 1.674688396e+03 2.902252327e+02 1.973551650e+02 0.44 1.604960979e+03 2.785956774e+02 1.892801003e+02 0.46 1.537271204e+03 2.672925659e+02 1.814346156e+02 0.48 1.471587846e+03 2.563110502e+02 1.738152661e+02 0.50 1.407879680e+03 2.456462850e+02 1.664186094e+02 0.52 1.346115484e+03 2.352934268e+02 1.592412048e+02 0.54 1.286264036e+03 2.252476341e+02 1.522796139e+02 0.56 1.228294115e+03 2.155040673e+02 1.455304001e+02 0.58 1.172174501e+03 2.060578888e+02 1.389901286e+02 0.60 1.117873975e+03 1.969042625e+02 1.326553664e+02 0.62 1.065361319e+03 1.880383542e+02 1.265226822e+02 0.64 1.014605317e+03 1.794553311e+02 1.205886463e+02 0.66 9.655747512e+02 1.711503621e+02 1.148498305e+02 0.68 9.182384073e+02 1.631186173e+02 1.093028084e+02 0.70 8.725650705e+02 1.553552683e+02 1.039441546e+02 0.72 8.285235271e+02 1.478554882e+02 9.877044525e+01 0.74 7.860825640e+02 1.406144510e+02 9.377825794e+01 0.76 7.452109689e+02 1.336273322e+02 8.896417135e+01 0.78 7.058775303e+02 1.268893082e+02 8.432476538e+01 0.80 6.680510373e+02 1.203955566e+02 7.985662109e+01 0.82 6.317002795e+02 1.141412560e+02 7.555632059e+01 0.84 5.967940473e+02 1.081215859e+02 7.142044702e+01 0.86 5.633011315e+02 1.023317268e+02 6.744558451e+01 0.88 5.311903238e+02 9.676686005e+01 6.362831807e+01 0.90 5.004304160e+02 9.142216778e+01 5.996523360e+01 0.92 4.709902008e+02 8.629283291e+01 5.645291782e+01 0.94 4.428384712e+02 8.137403910e+01 5.308795819e+01 0.96 4.159440207e+02 7.666097068e+01 4.986694293e+01 0.98 3.902756433e+02 7.214881262e+01 4.678646090e+01 1.00 3.658021335e+02 6.783275051e+01 4.384310161e+01 1.02 3.424922860e+02 6.370797048e+01 4.103345515e+01 1.04 3.203148962e+02 5.976965922e+01 3.835411216e+01 1.06 2.992387595e+02 5.601300387e+01 3.580166378e+01 1.08 2.792326721e+02 5.243319205e+01 3.337270161e+01 1.10 2.602654301e+02 4.902541180e+01 3.106381767e+01 1.12 2.423058304e+02 4.578485153e+01 2.887160437e+01 1.14 2.253226697e+02 4.270670002e+01 2.679265449e+01 1.16 2.092847455e+02 3.978614637e+01 2.482356109e+01 1.18 1.941608551e+02 3.701837999e+01 2.296091752e+01 1.20 1.799197965e+02 3.439859052e+01 2.120131738e+01 1.22 1.665303676e+02 3.192196786e+01 1.954135449e+01 1.24 1.539613668e+02 2.958370213e+01 1.797762285e+01 1.26 1.421815925e+02 2.737898362e+01 1.650671659e+01 1.28 1.311598434e+02 2.530300278e+01 1.512522998e+01 1.30 1.208649185e+02 2.335095019e+01 1.382975739e+01 1.32 1.112656168e+02 2.151801656e+01 1.261689326e+01 1.34 1.023307375e+02 1.979939266e+01 1.148323205e+01 1.36 9.402908010e+01 1.819026936e+01 1.042536826e+01 1.38 8.632944409e+01 1.668583755e+01 9.439896371e+00 1.40 7.920062916e+01 1.528128815e+01 8.523410841e+00 1.42 7.261143510e+01 1.397181209e+01 7.672506077e+00 1.44 6.653066181e+01 1.275260030e+01 6.883776415e+00 1.46 6.092710931e+01 1.161884365e+01 6.153816098e+00 1.48 5.576957768e+01 1.056573298e+01 5.479219267e+00 1.50 5.102686710e+01 9.588459086e+00 4.856579931e+00 1.52 4.666782278e+01 8.682220164e+00 4.282495907e+00 1.54 4.266222072e+01 7.842344586e+00 3.753648488e+00 1.56 3.898200751e+01 7.064436360e+00 3.266916285e+00 1.58 3.560132576e+01 6.344375148e+00 2.819380435e+00 1.60 3.249634409e+01 5.678299536e+00 2.408311866e+00 1.62 2.964510020e+01 5.062591318e+00 2.031159384e+00 1.64 2.702735582e+01 4.493860703e+00 1.685538445e+00 1.66 2.462446301e+01 3.968932417e+00 1.369220660e+00 1.68 2.241924060e+01 3.484832614e+00 1.080123938e+00 1.70 2.039586016e+01 3.038776590e+00 8.163032339e-01 1.72 1.853974081e+01 2.628157200e+00 5.759418698e-01 1.74 1.683745201e+01 2.250533993e+00 3.573433983e-01 1.76 1.527662401e+01 1.903622984e+00 1.589239711e-01 1.78 1.384586502e+01 1.585287030e+00 -2.079482572e-02 1.80 1.253468493e+01 1.293526803e+00 -1.831926836e-01 1.82 1.133342487e+01 1.026472281e+00 -3.295568699e-01 1.84 1.023319215e+01 7.823747678e-01 -4.610881360e-01 1.86 9.225800345e+00 5.595993770e-01 -5.789062514e-01 1.88 8.303713925e+00 3.566179800e-01 -6.840551977e-01 1.90 7.459997245e+00 1.720025717e-01 -7.775080393e-01 1.92 6.688267435e+00 4.419035315e-03 -8.601714834e-01 1.94 5.982650978e+00 -1.473787098e-01 -9.328901625e-01 1.96 5.337743652e+00 -2.845542165e-01 -9.964506429e-01 1.98 4.748573583e+00 -4.081936763e-01 -1.051585185e+00 2.00 4.210567176e+00 -5.193107783e-01 -1.098975265e+00 2.02 3.719517691e+00 -6.188512712e-01 -1.139254883e+00 2.04 3.271556278e+00 -7.076972492e-01 -1.173013648e+00 2.06 2.863125265e+00 -7.866711765e-01 -1.200799686e+00 2.08 2.490953528e+00 -8.565396680e-01 -1.223122352e+00 2.10 2.152033792e+00 -9.180170370e-01 -1.240454775e+00 2.12 1.843601698e+00 -9.717686292e-01 -1.253236246e+00 2.14 1.563116523e+00 -1.018413950e+00 -1.261874448e+00 2.16 1.308243393e+00 -1.058529604e+00 -1.266747549e+00 2.18 1.076836901e+00 -1.092652045e+00 -1.268206160e+00 2.20 8.669260104e-01 -1.121280173e+00 -1.266575170e+00 2.22 6.767001426e-01 -1.144877752e+00 -1.262155465e+00 2.24 5.044963540e-01 -1.163875697e+00 -1.255225532e+00 2.26 3.487875328e-01 -1.178674202e+00 -1.246042969e+00 2.28 2.081715173e-01 -1.189644752e+00 -1.234845890e+00 2.30 8.136107771e-02 -1.197132001e+00 -1.221854247e+00 2.32 -3.282531710e-02 -1.201455534e+00 -1.207271061e+00 2.34 -1.354719948e-01 -1.202911522e+00 -1.191283578e+00 2.36 -2.275739093e-01 -1.201774273e+00 -1.174064349e+00 2.38 -3.100438457e-01 -1.198297684e+00 -1.155772241e+00 2.40 -3.837190576e-01 -1.192716603e+00 -1.136553379e+00 2.42 -4.493673738e-01 -1.185248108e+00 -1.116542033e+00 2.44 -5.076928214e-01 -1.176092698e+00 -1.095861444e+00 2.46 -5.593408009e-01 -1.165435422e+00 -1.074624592e+00 2.48 -6.049028498e-01 -1.153446918e+00 -1.052934926e+00 2.50 -6.449210241e-01 -1.140284407e+00 -1.030887028e+00 2.52 -6.798919317e-01 -1.126092603e+00 -1.008567255e+00 2.54 -7.102704418e-01 -1.111004585e+00 -9.860543192e-01 2.56 -7.364730985e-01 -1.095142594e+00 -9.634198407e-01 2.58 -7.588812595e-01 -1.078618795e+00 -9.407288625e-01 2.60 -7.778439826e-01 -1.061535980e+00 -9.180403294e-01 2.62 -7.936806816e-01 -1.043988227e+00 -8.954075351e-01 2.64 -8.066835667e-01 -1.026061524e+00 -8.728785400e-01 2.66 -8.171198881e-01 -1.007834338e+00 -8.504965616e-01 2.68 -8.252340007e-01 -9.893781628e-01 -8.283003379e-01 2.70 -8.312492579e-01 -9.707580197e-01 -8.063244671e-01 2.72 -8.353697560e-01 -9.520329292e-01 -7.845997220e-01 2.74 -8.377819338e-01 -9.332563530e-01 -7.631533472e-01 2.76 -8.386560445e-01 -9.144766034e-01 -7.420093314e-01 2.78 -8.381475071e-01 -8.957372290e-01 -7.211886648e-01 2.80 -8.363981464e-01 -8.770773722e-01 -7.007095769e-01 2.82 -8.335373338e-01 -8.585321038e-01 -6.805877581e-01 2.84 -8.296830337e-01 -8.401327348e-01 -6.608365663e-01 2.86 -8.249427637e-01 -8.219071071e-01 -6.414672183e-01 2.88 -8.194144779e-01 -8.038798654e-01 -6.224889700e-01 2.90 -8.131873742e-01 -7.860727082e-01 -6.039092803e-01 2.92 -8.063426389e-01 -7.685046243e-01 -5.857339679e-01 2.94 -7.989541278e-01 -7.511921116e-01 -5.679673517e-01 2.96 -7.910889906e-01 -7.341493809e-01 -5.506123863e-01 2.98 -7.828082447e-01 -7.173885456e-01 -5.336707845e-01 3.00 -7.741673009e-01 -7.009197974e-01 -5.171431317e-01 3.02 -7.652164457e-01 -6.847515716e-01 -5.010289922e-01 3.04 -7.560012825e-01 -6.688906982e-01 -4.853270083e-01 3.06 -7.465631372e-01 -6.533425433e-01 -4.700349898e-01 3.08 -7.369394288e-01 -6.381111416e-01 -4.551500003e-01 3.10 -7.271640095e-01 -6.231993167e-01 -4.406684336e-01 3.12 -7.172674762e-01 -6.086087948e-01 -4.265860871e-01 3.14 -7.072774551e-01 -5.943403090e-01 -4.128982274e-01 3.16 -6.972188634e-01 -5.803936962e-01 -3.995996516e-01 3.18 -6.871141475e-01 -5.667679863e-01 -3.866847450e-01 3.20 -6.769835025e-01 -5.534614856e-01 -3.741475329e-01 3.22 -6.668450718e-01 -5.404718532e-01 -3.619817281e-01 3.24 -6.567151300e-01 -5.277961710e-01 -3.501807756e-01 3.26 -6.466082505e-01 -5.154310098e-01 -3.387378933e-01 3.28 -6.365374580e-01 -5.033724886e-01 -3.276461089e-01 3.30 -6.265143694e-01 -4.916163306e-01 -3.168982941e-01 3.32 -6.165493201e-01 -4.801579131e-01 -3.064871963e-01 3.34 -6.066514824e-01 -4.689923153e-01 -2.964054667e-01 3.36 -5.968289705e-01 -4.581143598e-01 -2.866456857e-01 3.38 -5.870889393e-01 -4.475186537e-01 -2.772003886e-01 3.40 -5.774376719e-01 -4.371996230e-01 -2.680620852e-01 3.42 -5.678806618e-01 -4.271515462e-01 -2.592232803e-01 3.44 -5.584226863e-01 -4.173685842e-01 -2.506764914e-01 3.46 -5.490678738e-01 -4.078448073e-01 -2.424142644e-01 3.48 -5.398197657e-01 -3.985742207e-01 -2.344291882e-01 3.50 -5.306813723e-01 -3.895507866e-01 -2.267139082e-01 3.52 -5.216552234e-01 -3.807684446e-01 -2.192611369e-01 3.54 -5.127434152e-01 -3.722211304e-01 -2.120636647e-01 3.56 -5.039476527e-01 -3.639027923e-01 -2.051143694e-01 3.58 -4.952692879e-01 -3.558074059e-01 -1.984062237e-01 3.60 -4.867093552e-01 -3.479289882e-01 -1.919323029e-01 3.62 -4.782686020e-01 -3.402616083e-01 -1.856857905e-01 3.64 -4.699475194e-01 -3.327993991e-01 -1.796599840e-01 3.66 -4.617463672e-01 -3.255365664e-01 -1.738482993e-01 3.68 -4.536651982e-01 -3.184673967e-01 -1.682442750e-01 3.70 -4.457038800e-01 -3.115862647e-01 -1.628415744e-01 3.72 -4.378621136e-01 -3.048876392e-01 -1.576339898e-01 3.74 -4.301394527e-01 -2.983660893e-01 -1.526154435e-01 3.76 -4.225353186e-01 -2.920162876e-01 -1.477799894e-01 3.78 -4.150490152e-01 -2.858330150e-01 -1.431218147e-01 3.80 -4.076797422e-01 -2.798111634e-01 -1.386352401e-01 3.82 -4.004266068e-01 -2.739457380e-01 -1.343147203e-01 3.84 -3.932886348e-01 -2.682318597e-01 -1.301548439e-01 3.86 -3.862647798e-01 -2.626647657e-01 -1.261503332e-01 3.88 -3.793539322e-01 -2.572398114e-01 -1.222960437e-01 3.90 -3.725549272e-01 -2.519524698e-01 -1.185869627e-01 3.92 -3.658665510e-01 -2.467983322e-01 -1.150182089e-01 3.94 -3.592875485e-01 -2.417731079e-01 -1.115850304e-01 3.96 -3.528166277e-01 -2.368726235e-01 -1.082828038e-01 3.98 -3.464524653e-01 -2.320928217e-01 -1.051070321e-01 4.00 -3.401937112e-01 -2.274297607e-01 -1.020533432e-01 4.02 -3.340389923e-01 -2.228796123e-01 -9.911748755e-02 4.04 -3.279869162e-01 -2.184386607e-01 -9.629533664e-02 4.06 -3.220360740e-01 -2.141033002e-01 -9.358288041e-02 4.08 -3.161850437e-01 -2.098700339e-01 -9.097622517e-02 4.10 -3.104323915e-01 -2.057354708e-01 -8.847159112e-02 4.12 -3.047766748e-01 -2.016963242e-01 -8.606531019e-02 4.14 -2.992164433e-01 -1.977494090e-01 -8.375382335e-02 4.16 -2.937502407e-01 -1.938916393e-01 -8.153367819e-02 4.18 -2.883766060e-01 -1.901200256e-01 -7.940152636e-02 4.20 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