# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Baskes-M-I-Laradji-M-Asadi-E--Pb-Sn # implementation = 2018--Etesami-S-A--Pb-Sn--LAMMPS--ipr1 # composition = Pb3Sn # 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 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 1.402774155e+03 nan nan 0.98 1.300908750e+03 nan nan 1.00 1.207654204e+03 nan nan 1.02 1.122158982e+03 nan nan 1.04 1.043667597e+03 nan nan 1.06 9.715085795e+02 1.317916395e+03 nan 1.08 9.050841042e+02 1.229616375e+03 1.334691496e+03 1.10 8.438610076e+02 1.148214031e+03 1.247704633e+03 1.12 7.873630003e+02 1.073077423e+03 1.167345045e+03 1.14 7.351639093e+02 1.003640794e+03 1.093020160e+03 1.16 6.868817971e+02 9.393968623e+02 1.024197937e+03 1.18 6.421738293e+02 8.798900902e+02 9.603999813e+02 1.20 6.007317964e+02 8.247108057e+02 9.011955298e+02 1.22 5.622781974e+02 7.734900585e+02 8.461961749e+02 1.24 5.265628047e+02 7.258951009e+02 7.950512208e+02 1.26 4.933596499e+02 6.816254205e+02 7.474436031e+02 1.28 4.624643766e+02 6.404092503e+02 7.030862941e+02 1.30 4.336919077e+02 6.020004888e+02 6.617191229e+02 1.32 4.068743888e+02 5.661759814e+02 6.231059655e+02 1.34 3.818593739e+02 5.327331204e+02 5.870322589e+02 1.36 3.585082211e+02 5.014877163e+02 5.533027947e+02 1.38 3.366946708e+02 4.722721115e+02 5.217397577e+02 1.40 3.163035868e+02 4.449335068e+02 4.921809850e+02 1.42 2.972298387e+02 4.193324736e+02 4.644784158e+02 1.44 2.793773084e+02 3.953416286e+02 4.384967068e+02 1.46 2.626580050e+02 3.728444535e+02 4.141119986e+02 1.48 2.469912783e+02 3.517342435e+02 3.912108141e+02 1.50 2.323031152e+02 3.318968774e+02 3.696890710e+02 1.52 2.185255118e+02 3.129166861e+02 3.494511983e+02 1.54 2.055964065e+02 2.947150390e+02 3.304093455e+02 1.56 1.931266366e+02 2.773529654e+02 3.124826710e+02 1.58 1.805658664e+02 2.608623497e+02 2.955967036e+02 1.60 1.681509538e+02 2.452528775e+02 2.796827691e+02 1.62 1.560720467e+02 2.305176903e+02 2.646774728e+02 1.64 1.444623045e+02 2.166378423e+02 2.505222337e+02 1.66 1.334104875e+02 2.035857960e+02 2.371628649e+02 1.68 1.229710471e+02 1.913281494e+02 2.245491940e+02 1.70 1.131721951e+02 1.798277478e+02 2.126347201e+02 1.72 1.040223315e+02 1.690455492e+02 2.013766686e+02 1.74 9.551514467e+01 1.588082009e+02 1.905352258e+02 1.76 8.763364375e+01 1.487507404e+02 1.795859508e+02 1.78 8.035332710e+01 1.389592456e+02 1.686824997e+02 1.80 7.364465587e+01 1.295191068e+02 1.579780908e+02 1.82 6.747497063e+01 1.204890278e+02 1.475858094e+02 1.84 6.180996165e+01 1.119066306e+02 1.375865088e+02 1.86 5.661478229e+01 1.037930401e+02 1.280353307e+02 1.88 5.185487906e+01 9.615660784e+01 1.189670529e+02 1.90 4.749659698e+01 8.899592871e+01 1.104004658e+02 1.92 4.350760777e+01 8.230227161e+01 1.023419379e+02 1.94 3.985719939e+01 7.606153151e+01 9.478831681e+01 1.96 3.651645767e+01 7.025579027e+01 8.772928089e+01 1.98 3.345836478e+01 6.486455490e+01 8.114923549e+01 2.00 3.065783457e+01 5.986573342e+01 7.502883510e+01 2.02 2.809170048e+01 5.523639749e+01 6.934619898e+01 2.04 2.573866848e+01 5.095337100e+01 6.407787398e+01 2.06 2.357924522e+01 4.699367806e+01 5.919959060e+01 2.08 2.159564937e+01 4.333487759e+01 5.468685060e+01 2.10 1.977171169e+01 3.995530681e+01 5.051537714e+01 2.12 1.809276924e+01 3.683425195e+01 4.666145338e+01 2.14 1.654555703e+01 3.395206121e+01 4.310217116e+01 2.16 1.511809992e+01 3.129021217e+01 3.981560699e+01 2.18 1.379960676e+01 2.883134381e+01 3.678094037e+01 2.20 1.258036846e+01 2.655926120e+01 3.397852620e+01 2.22 1.145166080e+01 2.445891933e+01 3.138993075e+01 2.24 1.040565266e+01 2.251639150e+01 2.899793972e+01 2.26 9.435320284e+00 2.071882680e+01 2.678654475e+01 2.28 8.534367550e+00 1.905439949e+01 2.474091351e+01 2.30 7.697152347e+00 1.751225357e+01 2.284734785e+01 2.32 6.918618965e+00 1.608244448e+01 2.109323364e+01 2.34 6.194236332e+00 1.475587944e+01 1.946698478e+01 2.36 5.519941755e+00 1.352425790e+01 1.795798372e+01 2.38 4.892089934e+00 1.238001303e+01 1.655652039e+01 2.40 4.307406924e+00 1.131625495e+01 1.525373075e+01 2.42 3.762948640e+00 1.032671546e+01 1.404153599e+01 2.44 3.256063597e+00 9.405683177e+00 1.291258332e+01 2.46 2.784359529e+00 8.547938934e+00 1.186018888e+01 2.48 2.345673545e+00 7.748713870e+00 1.087828316e+01 2.50 1.938043682e+00 7.003652834e+00 9.961359188e+00 2.52 1.559658242e+00 6.308779961e+00 9.104423829e+00 2.54 1.208806813e+00 5.660466340e+00 8.302952091e+00 2.56 8.838701805e-01 5.055399840e+00 7.552844524e+00 2.58 5.833157096e-01 4.490557125e+00 6.850387761e+00 2.60 3.056929591e-01 3.963177714e+00 6.192218022e+00 2.62 4.962950586e-02 3.470740042e+00 5.575287485e+00 2.64 -1.861730237e-01 3.010939464e+00 4.996833465e+00 2.66 -4.029427275e-01 2.581668080e+00 4.454350231e+00 2.68 -6.018410165e-01 2.180996256e+00 3.945563235e+00 2.70 -7.839660277e-01 1.807155762e+00 3.468405701e+00 2.72 -9.503558669e-01 1.458524423e+00 3.020997373e+00 2.74 -1.101991693e+00 1.133612135e+00 2.601625224e+00 2.76 -1.239800649e+00 8.310481648e-01 2.208726018e+00 2.78 -1.364658648e+00 5.495696427e-01 1.840870564e+00 2.80 -1.477393025e+00 2.880082386e-01 1.496745187e+00 2.82 -1.578785047e+00 4.526499296e-02 1.175115347e+00 2.84 -1.669572311e+00 -1.797041081e-01 8.748053096e-01 2.86 -1.750451013e+00 -3.878911697e-01 5.946948370e-01 2.88 -1.822078110e+00 -5.802388221e-01 3.337167132e-01 2.90 -1.885073370e+00 -7.576425426e-01 9.085438399e-02 2.92 -1.940021320e+00 -9.209528721e-01 -1.348603027e-01 2.94 -1.987473100e+00 -1.070977533e+00 -3.443492634e-01 2.96 -2.027948222e+00 -1.208483452e+00 -5.384902504e-01 2.98 -2.061936235e+00 -1.334198684e+00 -7.181188329e-01 3.00 -2.089898328e+00 -1.448814261e+00 -8.840302951e-01 3.02 -2.112275094e+00 -1.552985944e+00 -1.036981453e+00 3.04 -2.129508578e+00 -1.647335907e+00 -1.177692388e+00 3.06 -2.141920932e+00 -1.732454331e+00 -1.306848113e+00 3.08 -2.149870984e+00 -1.808900941e+00 -1.425100162e+00 3.10 -2.153725747e+00 -1.877206456e+00 -1.533068109e+00 3.12 -2.153805243e+00 -1.937873986e+00 -1.631341024e+00 3.14 -2.150410196e+00 -1.991380361e+00 -1.720478891e+00 3.16 -2.143822996e+00 -2.038177391e+00 -1.801014052e+00 3.18 -2.134308824e+00 -2.078693083e+00 -1.873452004e+00 3.20 -2.122116774e+00 -2.113332787e+00 -1.938272898e+00 3.22 -2.107480215e+00 -2.142480303e+00 -1.995933230e+00 3.24 -2.090618023e+00 -2.166498921e+00 -2.046866256e+00 3.26 -2.071735300e+00 -2.185732430e+00 -2.091483286e+00 3.28 -2.051024131e+00 -2.200506068e+00 -2.130174705e+00 3.30 -2.028664311e+00 -2.211127430e+00 -2.163310943e+00 3.32 -2.004824031e+00 -2.217887343e+00 -2.191243411e+00 3.34 -1.979660522e+00 -2.221060682e+00 -2.214305383e+00 3.36 -1.953320677e+00 -2.220907170e+00 -2.232812852e+00 3.38 -1.925941628e+00 -2.217672122e+00 -2.247065341e+00 3.40 -1.897651308e+00 -2.211587164e+00 -2.257346678e+00 3.42 -1.868568965e+00 -2.202870916e+00 -2.263925739e+00 3.44 -1.838805666e+00 -2.191729645e+00 -2.267057155e+00 3.46 -1.808464764e+00 -2.178357880e+00 -2.266981994e+00 3.48 -1.777642344e+00 -2.162939008e+00 -2.263928402e+00 3.50 -1.746427643e+00 -2.145645834e+00 -2.258112224e+00 3.52 -1.714903452e+00 -2.126641120e+00 -2.249737596e+00 3.54 -1.683146495e+00 -2.106078093e+00 -2.238997505e+00 3.56 -1.651227781e+00 -2.084100935e+00 -2.226074330e+00 3.58 -1.619212948e+00 -2.060845243e+00 -2.211140354e+00 3.60 -1.587162582e+00 -2.036438472e+00 -2.194358258e+00 3.62 -1.555132519e+00 -2.011000358e+00 -2.175881586e+00 3.64 -1.523174134e+00 -1.984643311e+00 -2.155855194e+00 3.66 -1.491334609e+00 -1.957472805e+00 -2.134415679e+00 3.68 -1.459657191e+00 -1.929587732e+00 -2.111691782e+00 3.70 -1.428181436e+00 -1.901080753e+00 -2.087804779e+00 3.72 -1.396943433e+00 -1.872038624e+00 -2.062868856e+00 3.74 -1.365976028e+00 -1.842542506e+00 -2.036991455e+00 3.76 -1.335309021e+00 -1.812668268e+00 -2.010273619e+00 3.78 -1.304969363e+00 -1.782486764e+00 -1.982810309e+00 3.80 -1.274981339e+00 -1.752064105e+00 -1.954690716e+00 3.82 -1.245366736e+00 -1.721461914e+00 -1.925998549e+00 3.84 -1.216145011e+00 -1.690737568e+00 -1.896810191e+00 3.86 -1.187333441e+00 -1.659944431e+00 -1.867177834e+00 3.88 -1.158947268e+00 -1.629132071e+00 -1.837145910e+00 3.90 -1.130999834e+00 -1.598346471e+00 -1.806878255e+00 3.92 -1.103502716e+00 -1.567630227e+00 -1.776406165e+00 3.94 -1.076465837e+00 -1.537022735e+00 -1.745763745e+00 3.96 -1.049897590e+00 -1.506560372e+00 -1.715003454e+00 3.98 -1.023804940e+00 -1.476276663e+00 -1.684174175e+00 4.00 -9.981935260e-01 -1.446202447e+00 -1.653321405e+00 4.02 -9.730677591e-01 -1.416366024e+00 -1.622487435e+00 4.04 -9.484309092e-01 -1.386793307e+00 -1.591711523e+00 4.06 -9.242851914e-01 -1.357507954e+00 -1.561030059e+00 4.08 -9.006318444e-01 -1.328531504e+00 -1.530476719e+00 4.10 -8.774712059e-01 -1.299883498e+00 -1.500082616e+00 4.12 -8.548027824e-01 -1.271581598e+00 -1.469876440e+00 4.14 -8.326253154e-01 -1.243641696e+00 -1.439884592e+00 4.16 -8.109368432e-01 -1.216078026e+00 -1.410131312e+00 4.18 -7.897347587e-01 -1.188903258e+00 -1.380638803e+00 4.20 -7.690158645e-01 -1.162128596e+00 -1.351427344e+00 4.22 -7.487764236e-01 -1.135763867e+00 -1.322515402e+00 4.24 -7.290122076e-01 -1.109817608e+00 -1.293919736e+00 4.26 -7.097185411e-01 -1.084297145e+00 -1.265655494e+00 4.28 -6.908903445e-01 -1.059208670e+00 -1.237736312e+00 4.30 -6.725221725e-01 -1.034557314e+00 -1.210174402e+00 4.32 -6.546082514e-01 -1.010347214e+00 -1.182980634e+00 4.34 -6.371425135e-01 -9.865815795e-01 -1.156164622e+00 4.36 -6.201186288e-01 -9.632627529e-01 -1.129734798e+00 4.38 -6.035300357e-01 -9.403922670e-01 -1.103698484e+00 4.40 -5.873699682e-01 -9.179709006e-01 -1.078061965e+00 4.42 -5.715894076e-01 -8.959987301e-01 -1.052830550e+00 4.44 -5.536516539e-01 -8.744751782e-01 -1.028008639e+00 4.46 -5.236326914e-01 -8.533990604e-01 -1.003599778e+00 4.48 -4.832337722e-01 -8.327686288e-01 -9.796067164e-01 4.50 -4.658097247e-01 -8.125816132e-01 -9.560314617e-01 4.52 -4.527760270e-01 -7.928352599e-01 -9.328753270e-01 4.54 -4.400654915e-01 -7.735263695e-01 -9.101389805e-01 4.56 -4.276723090e-01 -7.546513307e-01 -8.878224897e-01 4.58 -4.155906428e-01 -7.362061536e-01 -8.659253643e-01 4.60 -4.038146399e-01 -7.181865011e-01 -8.444465966e-01 4.62 -3.923384405e-01 -7.005877177e-01 -8.233846993e-01 4.64 -3.811561875e-01 -6.834048576e-01 -8.027377419e-01 4.66 -3.702620348e-01 -6.666327108e-01 -7.825033850e-01 4.68 -3.596501550e-01 -6.502657160e-01 -7.626789116e-01 4.70 -3.493147471e-01 -6.340727499e-01 -7.432612587e-01 4.72 -3.392500425e-01 -6.162232167e-01 -7.242470450e-01 4.74 -3.294503113e-01 -5.935186625e-01 -7.056325984e-01 4.76 -3.199098680e-01 -5.686808041e-01 -6.874139818e-01 4.78 -3.106230762e-01 -5.548029634e-01 -6.695870166e-01 4.80 -3.015843536e-01 -5.416951606e-01 -6.521473057e-01 4.82 -2.927881758e-01 -5.289232410e-01 -6.350902547e-01 4.84 -2.842076707e-01 -5.164805828e-01 -6.184110924e-01 4.86 -2.742662951e-01 -5.043605378e-01 -6.021048890e-01 4.88 -2.556745551e-01 -4.925564436e-01 -5.861665744e-01 4.90 -2.158930649e-01 -4.810616340e-01 -5.705909548e-01 4.92 -1.634932122e-01 -4.698694500e-01 -5.553727280e-01 4.94 -1.590749805e-01 -4.589732486e-01 -5.405064985e-01 4.96 -1.547647829e-01 -4.483664129e-01 -5.259867912e-01 4.98 -1.505605050e-01 -4.380423599e-01 -5.118080640e-01 5.00 -1.464600466e-01 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-8.813110892e-02 -2.873259566e-01 -2.996744382e-01 5.38 -8.563225209e-02 -2.813816729e-01 -2.911326364e-01 5.40 -8.319993970e-02 -2.755996676e-01 -2.828155997e-01 5.42 -8.063648739e-02 -2.694209828e-01 -2.741797889e-01 5.44 -7.549031692e-02 -2.557931584e-01 -2.584285695e-01 5.46 -6.164174030e-02 -2.158060000e-01 -2.173599922e-01 5.48 -3.233458555e-02 -1.217619750e-01 -1.233051952e-01 5.50 -8.643337032e-23 -1.915911240e-22 -3.366817364e-22 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 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00