# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd3 # 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 2022-05-24 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 9.068445866e+02 nan nan 0.88 8.189118041e+02 nan nan 0.90 7.405561630e+02 nan nan 0.92 6.706333340e+02 nan nan 0.94 6.081402825e+02 nan nan 0.96 5.522047220e+02 8.156221414e+02 9.264316561e+02 0.98 5.020646733e+02 7.436235283e+02 8.456590338e+02 1.00 4.570467814e+02 6.787854246e+02 7.727831907e+02 1.02 4.165696033e+02 6.203196910e+02 7.069567370e+02 1.04 3.801170012e+02 5.675367167e+02 6.474231479e+02 1.06 3.472370613e+02 5.198239359e+02 5.935262635e+02 1.08 3.175296648e+02 4.766343971e+02 5.446706664e+02 1.10 2.906476107e+02 4.374908192e+02 5.003380800e+02 1.12 2.662815961e+02 4.019644744e+02 4.600608387e+02 1.14 2.441641570e+02 3.696750285e+02 4.234247228e+02 1.16 2.240545833e+02 3.402921377e+02 3.900602637e+02 1.18 2.057423963e+02 3.135170956e+02 3.596375030e+02 1.20 1.890421002e+02 2.890837154e+02 3.318647423e+02 1.22 1.737873891e+02 2.667540383e+02 3.064782042e+02 1.24 1.598343975e+02 2.463219265e+02 2.832424715e+02 1.26 1.470550594e+02 2.276010876e+02 2.619514192e+02 1.28 1.353344526e+02 2.104250578e+02 2.424180952e+02 1.30 1.245699469e+02 1.946435478e+02 2.244735316e+02 1.32 1.146734644e+02 1.801266546e+02 2.079696416e+02 1.34 1.055645036e+02 1.667565276e+02 1.927728360e+02 1.36 9.717091833e+01 1.544289874e+02 1.787630577e+02 1.38 8.942813422e+01 1.430497179e+02 1.658313989e+02 1.40 8.228017191e+01 1.325331592e+02 1.538810604e+02 1.42 7.567593535e+01 1.228031981e+02 1.428273024e+02 1.44 6.956936575e+01 1.137935569e+02 1.325925738e+02 1.46 6.391721244e+01 1.054429450e+02 1.231066755e+02 1.48 5.868239578e+01 9.769593940e+01 1.143046363e+02 1.50 5.383286197e+01 9.050330814e+01 1.061299783e+02 1.52 4.933798446e+01 8.382058430e+01 9.853304315e+01 1.54 4.516983402e+01 7.760649993e+01 9.146613708e+01 1.56 4.130309566e+01 7.182352821e+01 8.488848836e+01 1.58 3.771453796e+01 6.643892844e+01 7.876212928e+01 1.60 3.438208669e+01 6.142376305e+01 7.305228399e+01 1.62 3.128796684e+01 5.675026122e+01 6.772650285e+01 1.64 2.841452705e+01 5.239307739e+01 6.275726539e+01 1.66 2.571399782e+01 4.832931512e+01 5.811839543e+01 1.68 2.321901197e+01 4.453789329e+01 5.378589666e+01 1.70 2.089065630e+01 4.099928440e+01 4.973761292e+01 1.72 1.872046927e+01 3.769493714e+01 4.595362510e+01 1.74 1.670059431e+01 3.460960310e+01 4.241579425e+01 1.76 1.482337827e+01 3.172817494e+01 3.910717537e+01 1.78 1.308138760e+01 2.903583698e+01 3.601116851e+01 1.80 1.146715683e+01 2.649475008e+01 3.311403432e+01 1.82 9.973695319e+00 2.413418999e+01 3.040294836e+01 1.84 8.594118398e+00 2.192145213e+01 2.786551003e+01 1.86 7.321778639e+00 1.984703986e+01 2.546013601e+01 1.88 6.150405378e+00 1.790438125e+01 2.322612226e+01 1.90 5.074109756e+00 1.608713496e+01 2.112645129e+01 1.92 4.086554210e+00 1.438942516e+01 1.915528347e+01 1.94 3.182078315e+00 1.280531461e+01 1.730682091e+01 1.96 2.355133673e+00 1.132906212e+01 1.557537089e+01 1.98 1.600642370e+00 9.955066932e+00 1.395512562e+01 2.00 9.140178023e-01 8.677909243e+00 1.244097669e+01 2.02 2.910149535e-01 7.492357022e+00 1.102623710e+01 2.04 -2.726874128e-01 6.393370778e+00 9.707076961e+00 2.06 -7.811804506e-01 5.376383855e+00 8.478774290e+00 2.08 -1.238333750e+00 4.435998531e+00 7.336512327e+00 2.10 -1.647830241e+00 3.568035277e+00 6.275652068e+00 2.12 -2.013233693e+00 2.767811019e+00 5.292359169e+00 2.14 -2.337540386e+00 2.031657006e+00 4.381718822e+00 2.16 -2.622939264e+00 1.355965959e+00 3.539400424e+00 2.18 -2.873362686e+00 7.370376034e-01 2.761367839e+00 2.20 -3.091526520e+00 1.713496751e-01 2.044088250e+00 2.22 -3.279982383e+00 -3.444475783e-01 1.384037430e+00 2.24 -3.441124892e+00 -8.135371581e-01 7.778153935e-01 2.26 -3.577200493e+00 -1.238941208e+00 2.221808335e-01 2.28 -3.690799716e+00 -1.623526444e+00 -2.859534700e-01 2.30 -3.783383628e+00 -1.969866093e+00 -7.495255398e-01 2.32 -3.856926497e+00 -2.280684445e+00 -1.171329232e+00 2.34 -3.913238540e+00 -2.557829631e+00 -1.554019370e+00 2.36 -3.953636860e+00 -2.803879921e+00 -1.899959469e+00 2.38 -3.979681265e+00 -3.021356553e+00 -2.212128793e+00 2.40 -3.992248832e+00 -3.212323178e+00 -2.492281449e+00 2.42 -3.993224155e+00 -3.378892871e+00 -2.742439026e+00 2.44 -3.983635027e+00 -3.522728980e+00 -2.964817123e+00 2.46 -3.964576092e+00 -3.645551502e+00 -3.161342715e+00 2.48 -3.936940090e+00 -3.748983039e+00 -3.333843515e+00 2.50 -3.901403270e+00 -3.834547086e+00 -3.484045893e+00 2.52 -3.859248333e+00 -3.904103020e+00 -3.613579198e+00 2.54 -3.811260501e+00 -3.958774777e+00 -3.723979935e+00 2.56 -3.758165909e+00 -3.999611597e+00 -3.816695814e+00 2.58 -3.700630540e+00 -4.027614241e+00 -3.893089678e+00 2.60 -3.639264301e+00 -4.043711440e+00 -3.954443318e+00 2.62 -3.574624885e+00 -4.048971859e+00 -4.001961156e+00 2.64 -3.507221598e+00 -4.044703768e+00 -4.036774093e+00 2.66 -3.437788024e+00 -4.032055592e+00 -4.060212595e+00 2.68 -3.367215183e+00 -4.011840793e+00 -4.072675747e+00 2.70 -3.295141381e+00 -3.984471751e+00 -4.075413509e+00 2.72 -3.221437212e+00 -3.950400970e+00 -4.069304601e+00 2.74 -3.144926976e+00 -3.910703350e+00 -4.055160824e+00 2.76 -3.067864823e+00 -3.865995852e+00 -4.033741285e+00 2.78 -2.990731323e+00 -3.817862091e+00 -4.005878573e+00 2.80 -2.913767416e+00 -3.766406760e+00 -3.972302626e+00 2.82 -2.837024353e+00 -3.711435844e+00 -3.933415206e+00 2.84 -2.761273760e+00 -3.653404135e+00 -3.889784945e+00 2.86 -2.687100328e+00 -3.592730790e+00 -3.841935853e+00 2.88 -2.613519048e+00 -3.529801587e+00 -3.790353830e+00 2.90 -2.540658702e+00 -3.464971050e+00 -3.735488888e+00 2.92 -2.468632621e+00 -3.398560018e+00 -3.677757287e+00 2.94 -2.397541266e+00 -3.330918565e+00 -3.617543553e+00 2.96 -2.327743143e+00 -3.262031528e+00 -3.555202452e+00 2.98 -2.259025402e+00 -3.190858963e+00 -3.491060807e+00 3.00 -2.191452930e+00 -3.119028586e+00 -3.425419304e+00 3.02 -2.125080714e+00 -3.047009004e+00 -3.358538505e+00 3.04 -2.059955104e+00 -2.974964777e+00 -3.290661662e+00 3.06 -1.996113998e+00 -2.903061247e+00 -3.220178369e+00 3.08 -1.933587680e+00 -2.831444954e+00 -3.150793000e+00 3.10 -1.872396871e+00 -2.760247410e+00 -3.081124831e+00 3.12 -1.812569635e+00 -2.689586285e+00 -3.011320936e+00 3.14 -1.754139910e+00 -2.619566483e+00 -2.941544286e+00 3.16 -1.697020261e+00 -2.550281164e+00 -2.871938410e+00 3.18 -1.641139598e+00 -2.481812667e+00 -2.802632971e+00 3.20 -1.586588010e+00 -2.414233383e+00 -2.733744773e+00 3.22 -1.533439972e+00 -2.347606648e+00 -2.665378731e+00 3.24 -1.481660874e+00 -2.281980068e+00 -2.597628754e+00 3.26 -1.431237868e+00 -2.218294022e+00 -2.530578590e+00 3.28 -1.382168744e+00 -2.155970996e+00 -2.464302665e+00 3.30 -1.334320985e+00 -2.094709898e+00 -2.398866673e+00 3.32 -1.287556249e+00 -2.034542508e+00 -2.334328256e+00 3.34 -1.241836071e+00 -1.975495691e+00 -2.270737834e+00 3.36 -1.197283667e+00 -1.917590730e+00 -2.208139180e+00 3.38 -1.154008338e+00 -1.860839956e+00 -2.146570230e+00 3.40 -1.112054247e+00 -1.805275180e+00 -2.086116921e+00 3.42 -1.071370416e+00 -1.750910330e+00 -2.026894034e+00 3.44 -1.031917290e+00 -1.697661186e+00 -1.968769402e+00 3.46 -9.936536044e-01 -1.645478633e+00 -1.911762063e+00 3.48 -9.565457748e-01 -1.594441797e+00 -1.855886844e+00 3.50 -9.205659585e-01 -1.544610137e+00 -1.801178269e+00 3.52 -8.856978945e-01 -1.495963979e+00 -1.747614402e+00 3.54 -8.519105023e-01 -1.448492522e+00 -1.695110832e+00 3.56 -8.191830787e-01 -1.402183254e+00 -1.643658869e+00 3.58 -7.874849311e-01 -1.356946269e+00 -1.593342121e+00 3.60 -7.567316643e-01 -1.312670938e+00 -1.544198358e+00 3.62 -7.269385734e-01 -1.269313624e+00 -1.496198571e+00 3.64 -6.980677645e-01 -1.226935056e+00 -1.449334267e+00 3.66 -6.700963460e-01 -1.185628543e+00 -1.403608651e+00 3.68 -6.430730342e-01 -1.145452587e+00 -1.358921599e+00 3.70 -6.170299636e-01 -1.106396484e+00 -1.315160563e+00 3.72 -5.919992622e-01 -1.068433572e+00 -1.272261203e+00 3.74 -5.680472206e-01 -1.031533037e+00 -1.230299947e+00 3.76 -5.450722559e-01 -9.956623736e-01 -1.189782437e+00 3.78 -5.230113320e-01 -9.607935639e-01 -1.150596563e+00 3.80 -5.017889553e-01 -9.269093566e-01 -1.112475457e+00 3.82 -4.812146578e-01 -8.939950281e-01 -1.075381610e+00 3.84 -4.611448813e-01 -8.620332636e-01 -1.039289584e+00 3.86 -4.414770374e-01 -8.309983906e-01 -1.004171825e+00 3.88 -4.221409866e-01 -8.008372195e-01 -9.700027440e-01 3.90 -4.030919945e-01 -7.715332211e-01 -9.367622611e-01 3.92 -3.843049292e-01 -7.430828294e-01 -9.044398406e-01 3.94 -3.657695113e-01 -7.154848537e-01 -8.730237707e-01 3.96 -3.474506761e-01 -6.886960478e-01 -8.424899730e-01 3.98 -3.293593620e-01 -6.627002544e-01 -8.128265778e-01 4.00 -3.115568320e-01 -6.375339557e-01 -7.839682531e-01 4.02 -2.940594091e-01 -6.132469167e-01 -7.558939018e-01 4.04 -2.769509295e-01 -5.898622149e-01 -7.286243724e-01 4.06 -2.603136028e-01 -5.673155414e-01 -7.021552992e-01 4.08 -2.442080256e-01 -5.455723471e-01 -6.764323686e-01 4.10 -2.286770352e-01 -5.245743365e-01 -6.514849176e-01 4.12 -2.137489541e-01 -5.043220341e-01 -6.273410301e-01 4.14 -1.994403148e-01 -4.847055741e-01 -6.040286848e-01 4.16 -1.857581431e-01 -4.656436291e-01 -5.816150346e-01 4.18 -1.727018674e-01 -4.472882340e-01 -5.600273946e-01 4.20 -1.602649087e-01 -4.292592778e-01 -5.391812498e-01 4.22 -1.484360033e-01 -4.115105691e-01 -5.190300355e-01 4.24 -1.372002974e-01 -3.940113129e-01 -4.995636942e-01 4.26 -1.265402514e-01 -3.767183925e-01 -4.806530883e-01 4.28 -1.164393430e-01 -3.596309666e-01 -4.621885726e-01 4.30 -1.071777942e-01 -3.427817595e-01 -4.440887686e-01 4.32 -9.905118501e-02 -3.262000171e-01 -4.262952460e-01 4.34 -9.218190848e-02 -3.099010942e-01 -4.087680332e-01 4.36 -8.613056337e-02 -2.938932236e-01 -3.914818452e-01 4.38 -8.039294515e-02 -2.781917366e-01 -3.744228451e-01 4.40 -7.495509516e-02 -2.628645264e-01 -3.575508719e-01 4.42 -6.980324368e-02 -2.479654127e-01 -3.408741277e-01 4.44 -6.492389934e-02 -2.335342837e-01 -3.244416569e-01 4.46 -6.030391704e-02 -2.195994252e-01 -3.082947587e-01 4.48 -5.593054829e-02 -2.061795045e-01 -2.924507203e-01 4.50 -5.179147721e-02 -1.932852607e-01 -2.769234743e-01 4.52 -4.787484460e-02 -1.809209403e-01 -2.617754883e-01 4.54 -4.416926254e-02 -1.690855143e-01 -2.470560669e-01 4.56 -4.066382134e-02 -1.577737084e-01 -2.328016731e-01 4.58 -3.734809027e-02 -1.469795665e-01 -2.190380480e-01 4.60 -3.421211351e-02 -1.372543799e-01 -2.057820249e-01 4.62 -3.124640229e-02 -1.285360191e-01 -1.930430779e-01 4.64 -2.844192419e-02 -1.202287723e-01 -1.808246400e-01 4.66 -2.579009023e-02 -1.123187729e-01 -1.691252263e-01 4.68 -2.328274043e-02 -1.047917010e-01 -1.579393831e-01 4.70 -2.091212834e-02 -9.763298080e-02 -1.472584929e-01 4.72 -1.867090480e-02 -9.082794309e-02 -1.370714523e-01 4.74 -1.654210845e-02 -8.436195748e-02 -1.273652428e-01 4.76 -1.545106653e-02 -7.822054040e-02 -1.181254084e-01 4.78 -1.442473092e-02 -7.239263443e-02 -1.093413037e-01 4.80 -1.344853158e-02 -6.688106775e-02 -1.010222238e-01 4.82 -1.252012831e-02 -6.216043350e-02 -9.389334845e-02 4.84 -1.163728316e-02 -5.770007108e-02 -8.715154677e-02 4.86 -1.079785645e-02 -5.346736809e-02 -8.074950470e-02 4.88 -9.999802962e-03 -4.945018988e-02 -7.467056175e-02 4.90 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-6.202676006e-03 5.26 -5.536106922e-04 -2.678760196e-03 -4.020520872e-03 5.28 -2.696929290e-04 -1.303804234e-03 -1.956276912e-03 5.30 -5.250829962e-16 -2.040854733e-15 -2.379914771e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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