# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Pt # 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 4.558035673e+02 nan nan 0.88 4.128085069e+02 nan nan 0.90 3.741193745e+02 nan nan 0.92 3.392622345e+02 nan nan 0.94 3.078118171e+02 nan nan 0.96 2.794024080e+02 4.113198351e+02 4.640712744e+02 0.98 2.537246211e+02 3.759117308e+02 4.253208781e+02 1.00 2.304946312e+02 3.437324067e+02 3.900295826e+02 1.02 2.094670399e+02 3.144494328e+02 3.578436808e+02 1.04 1.904157993e+02 2.877826558e+02 3.284517416e+02 1.06 1.731562877e+02 2.634739988e+02 3.015832479e+02 1.08 1.575065166e+02 2.413032814e+02 2.769969420e+02 1.10 1.433118309e+02 2.210728101e+02 2.544819238e+02 1.12 1.304338777e+02 2.026004781e+02 2.338514028e+02 1.14 1.187456145e+02 1.857185120e+02 2.149379718e+02 1.16 1.081369322e+02 1.702844831e+02 1.975875624e+02 1.18 9.850382001e+01 1.561731565e+02 1.816665805e+02 1.20 8.975048314e+01 1.432665024e+02 1.670560711e+02 1.22 8.179085081e+01 1.314509359e+02 1.536400790e+02 1.24 7.455246130e+01 1.206380767e+02 1.413218282e+02 1.26 6.796498083e+01 1.107377643e+02 1.300088057e+02 1.28 6.196285434e+01 1.016704842e+02 1.196180553e+02 1.30 5.649491605e+01 9.336060861e+01 1.100667674e+02 1.32 5.151097642e+01 8.574038731e+01 1.012905618e+02 1.34 4.696492022e+01 7.875210032e+01 9.322480232e+01 1.36 4.281120088e+01 7.234022429e+01 8.580991672e+01 1.38 3.901415205e+01 6.645202300e+01 7.898783085e+01 1.40 3.554222265e+01 6.104482212e+01 7.270742827e+01 1.42 3.236590095e+01 5.607650603e+01 6.692882774e+01 1.44 2.945689266e+01 5.150790589e+01 6.160758408e+01 1.46 2.679051682e+01 4.730219737e+01 5.670613817e+01 1.48 2.434230423e+01 4.343002005e+01 5.219031720e+01 1.50 2.209611133e+01 3.986486735e+01 4.802710445e+01 1.52 2.003333998e+01 3.658001153e+01 4.418740553e+01 1.54 1.813768217e+01 3.355020871e+01 4.064572083e+01 1.56 1.639688712e+01 3.075510040e+01 3.737719954e+01 1.58 1.479785303e+01 2.817520440e+01 3.435635606e+01 1.60 1.332973752e+01 2.579317651e+01 3.156472119e+01 1.62 1.197986572e+01 2.359259586e+01 2.898407410e+01 1.64 1.074024648e+01 2.155854899e+01 2.659765498e+01 1.66 9.548264808e+00 1.967595011e+01 2.438801690e+01 1.68 8.463659550e+00 1.793268694e+01 2.234103864e+01 1.70 7.440637118e+00 1.632131357e+01 2.044528607e+01 1.72 6.476372846e+00 1.483117235e+01 1.868866638e+01 1.74 5.568484030e+00 1.345479170e+01 1.706186248e+01 1.76 4.713956798e+00 1.216601258e+01 1.555316809e+01 1.78 3.911291943e+00 1.097920871e+01 1.415637613e+01 1.80 3.159535472e+00 9.875314947e+00 1.286377297e+01 1.82 2.455813442e+00 8.816695411e+00 1.166780061e+01 1.84 1.799073066e+00 7.843106951e+00 1.051850641e+01 1.86 1.188070277e+00 6.922170967e+00 9.481636946e+00 1.88 6.210821245e-01 6.051578708e+00 8.496988592e+00 1.90 9.630239582e-02 5.229285279e+00 7.561879862e+00 1.92 -3.880048639e-01 4.453253690e+00 6.676238857e+00 1.94 -8.336247639e-01 3.720589929e+00 5.838038807e+00 1.96 -1.242345026e+00 3.031488498e+00 5.045486415e+00 1.98 -1.616216855e+00 2.383338451e+00 4.296961342e+00 2.00 -1.956869353e+00 1.775329113e+00 3.590968121e+00 2.02 -2.265643382e+00 1.206636011e+00 2.925504208e+00 2.04 -2.542737584e+00 6.758176885e-01 2.299023367e+00 2.06 -2.791166491e+00 1.813252571e-01 1.711131014e+00 2.08 -3.013241363e+00 -2.783210896e-01 1.160497621e+00 2.10 -3.210522753e+00 -7.043443707e-01 6.457717788e-01 2.12 -3.384853733e+00 -1.098378804e+00 1.656083040e-01 2.14 -3.537698110e+00 -1.461681019e+00 -2.813336638e-01 2.16 -3.670101911e+00 -1.796021865e+00 -6.963900597e-01 2.18 -3.784279979e+00 -2.102381601e+00 -1.080937334e+00 2.20 -3.880760605e+00 -2.381333236e+00 -1.436266742e+00 2.22 -3.960984096e+00 -2.634764873e+00 -1.764197154e+00 2.24 -4.026378988e+00 -2.862886394e+00 -2.066620432e+00 2.26 -4.076707578e+00 -3.068536984e+00 -2.343442877e+00 2.28 -4.113719576e+00 -3.252931916e+00 -2.594899356e+00 2.30 -4.138560962e+00 -3.417286003e+00 -2.822549666e+00 2.32 -4.152480405e+00 -3.562802060e+00 -3.028647079e+00 2.34 -4.156468511e+00 -3.690542028e+00 -3.214326510e+00 2.36 -4.151187457e+00 -3.801590060e+00 -3.380693974e+00 2.38 -4.137457139e+00 -3.896991467e+00 -3.528951686e+00 2.40 -4.116048421e+00 -3.977751981e+00 -3.660125089e+00 2.42 -4.087684736e+00 -4.044837319e+00 -3.775085200e+00 2.44 -4.053043778e+00 -4.099051671e+00 -3.874809557e+00 2.46 -4.012759163e+00 -4.140937399e+00 -3.960239575e+00 2.48 -3.967560428e+00 -4.171595844e+00 -4.032504880e+00 2.50 -3.918286448e+00 -4.192511211e+00 -4.092933663e+00 2.52 -3.864985666e+00 -4.204012712e+00 -4.141336959e+00 2.54 -3.808143590e+00 -4.206830988e+00 -4.178113361e+00 2.56 -3.748202488e+00 -4.201652677e+00 -4.204677833e+00 2.58 -3.685547762e+00 -4.189082428e+00 -4.221734263e+00 2.60 -3.618567807e+00 -4.171827476e+00 -4.230094586e+00 2.62 -3.549346346e+00 -4.148956464e+00 -4.230416265e+00 2.64 -3.478613592e+00 -4.120392013e+00 -4.223323574e+00 2.66 -3.407331074e+00 -4.086699472e+00 -4.209547241e+00 2.68 -3.335482614e+00 -4.048359327e+00 -4.189642597e+00 2.70 -3.262867669e+00 -4.005778863e+00 -4.163997835e+00 2.72 -3.189707787e+00 -3.959387450e+00 -4.133112547e+00 2.74 -3.116192312e+00 -3.909587139e+00 -4.097457826e+00 2.76 -3.043267381e+00 -3.856754862e+00 -4.057477242e+00 2.78 -2.970588460e+00 -3.801421662e+00 -4.013587827e+00 2.80 -2.898033132e+00 -3.743830835e+00 -3.966181093e+00 2.82 -2.825740618e+00 -3.683455772e+00 -3.915624058e+00 2.84 -2.753837680e+00 -3.619795502e+00 -3.862259847e+00 2.86 -2.682438570e+00 -3.554707054e+00 -3.806723395e+00 2.88 -2.611645941e+00 -3.488416581e+00 -3.751628251e+00 2.90 -2.541551698e+00 -3.420518067e+00 -3.693822288e+00 2.92 -2.472237800e+00 -3.351860954e+00 -3.632704348e+00 2.94 -2.403777984e+00 -3.282679636e+00 -3.570250225e+00 2.96 -2.336445717e+00 -3.213142506e+00 -3.506626725e+00 2.98 -2.270073254e+00 -3.143405449e+00 -3.441394243e+00 3.00 -2.204711020e+00 -3.073611226e+00 -3.375296826e+00 3.02 -2.140402660e+00 -3.003896056e+00 -3.308619950e+00 3.04 -2.077185711e+00 -2.934917372e+00 -3.241522612e+00 3.06 -2.015092771e+00 -2.866949656e+00 -3.174154349e+00 3.08 -1.954476321e+00 -2.799316635e+00 -3.106983765e+00 3.10 -1.895005405e+00 -2.732120569e+00 -3.039781567e+00 3.12 -1.836734433e+00 -2.665445091e+00 -2.972664783e+00 3.14 -1.779610358e+00 -2.599365637e+00 -2.905740509e+00 3.16 -1.723555404e+00 -2.533950020e+00 -2.839106542e+00 3.18 -1.668423621e+00 -2.469258980e+00 -2.772851985e+00 3.20 -1.614112802e+00 -2.405346677e+00 -2.707057813e+00 3.22 -1.560899195e+00 -2.342261186e+00 -2.641797429e+00 3.24 -1.508978938e+00 -2.280042237e+00 -2.577137166e+00 3.26 -1.458278599e+00 -2.219056450e+00 -2.513136779e+00 3.28 -1.408711663e+00 -2.159108028e+00 -2.449849889e+00 3.30 -1.360267517e+00 -2.100101394e+00 -2.387324399e+00 3.32 -1.312995955e+00 -2.042062040e+00 -2.325602907e+00 3.34 -1.266935684e+00 -1.985010553e+00 -2.264723157e+00 3.36 -1.222079169e+00 -1.928965617e+00 -2.204718307e+00 3.38 -1.178403830e+00 -1.873950982e+00 -2.145617113e+00 3.40 -1.135882773e+00 -1.819969607e+00 -2.087444541e+00 3.42 -1.094496395e+00 -1.766962650e+00 -2.030222151e+00 3.44 -1.054232565e+00 -1.714841246e+00 -1.973967172e+00 3.46 -1.015068727e+00 -1.663504249e+00 -1.918689529e+00 3.48 -9.769857014e-01 -1.612959427e+00 -1.864431510e+00 3.50 -9.399615823e-01 -1.563391898e+00 -1.811188332e+00 3.52 -9.039828319e-01 -1.514930118e+00 -1.759593761e+00 3.54 -8.690166076e-01 -1.467541486e+00 -1.708852067e+00 3.56 -8.350450321e-01 -1.421155637e+00 -1.658788931e+00 3.58 -8.020603668e-01 -1.375740404e+00 -1.609478387e+00 3.60 -7.700000017e-01 -1.331319724e+00 -1.561160314e+00 3.62 -7.388644970e-01 -1.287932577e+00 -1.513906501e+00 3.64 -7.085559941e-01 -1.245596953e+00 -1.467657030e+00 3.66 -6.791055387e-01 -1.204294070e+00 -1.422349458e+00 3.68 -6.505897122e-01 -1.164004187e+00 -1.377961406e+00 3.70 -6.230625201e-01 -1.124707344e+00 -1.334515155e+00 3.72 -5.965856786e-01 -1.086389137e+00 -1.292048121e+00 3.74 -5.711929118e-01 -1.049035435e+00 -1.250579532e+00 3.76 -5.468258817e-01 -1.012629703e+00 -1.210249388e+00 3.78 -5.234765799e-01 -9.771577205e-01 -1.170970445e+00 3.80 -5.008768060e-01 -9.426043045e-01 -1.132625275e+00 3.82 -4.788033258e-01 -9.089479332e-01 -1.095202420e+00 3.84 -4.570980200e-01 -8.761711781e-01 -1.058693532e+00 3.86 -4.356542094e-01 -8.442547175e-01 -1.023079903e+00 3.88 -4.144053835e-01 -8.131952909e-01 -9.883493349e-01 3.90 -3.933159472e-01 -7.829722890e-01 -9.544922108e-01 3.92 -3.723657607e-01 -7.535207689e-01 -9.214930449e-01 3.94 -3.515315107e-01 -7.248181980e-01 -8.893322526e-01 3.96 -3.308759510e-01 -6.968307834e-01 -8.579878822e-01 3.98 -3.103938815e-01 -6.696170841e-01 -8.274576727e-01 4.00 -2.901878191e-01 -6.432318213e-01 -7.977385138e-01 4.02 -2.704117805e-01 -6.177138476e-01 -7.687822102e-01 4.04 -2.511683381e-01 -5.931039437e-01 -7.405650375e-01 4.06 -2.351748361e-01 -5.694604496e-01 -7.130029954e-01 4.08 -2.199909160e-01 -5.467449200e-01 -6.861473767e-01 4.10 -2.054415552e-01 -5.248910491e-01 -6.600569820e-01 4.12 -1.915260996e-01 -5.036867083e-01 -6.347750264e-01 4.14 -1.782448694e-01 -4.829463393e-01 -6.103315646e-01 4.16 -1.655919216e-01 -4.625349662e-01 -5.867746414e-01 4.18 -1.535564134e-01 -4.423583135e-01 -5.641184160e-01 4.20 -1.421237330e-01 -4.223545348e-01 -5.423876662e-01 4.22 -1.312764341e-01 -4.024873189e-01 -5.214347821e-01 4.24 -1.209950072e-01 -3.827401691e-01 -5.010520374e-01 4.26 -1.112585072e-01 -3.631007468e-01 -4.810840330e-01 4.28 -1.020450685e-01 -3.434766177e-01 -4.614179384e-01 4.30 -9.333231881e-02 -3.254980453e-01 -4.419752540e-01 4.32 -8.509771217e-02 -3.083595567e-01 -4.227049002e-01 4.34 -7.731879363e-02 -2.914803742e-01 -4.035774335e-01 4.36 -6.997340696e-02 -2.749670502e-01 -3.845802294e-01 4.38 -6.303985580e-02 -2.588890451e-01 -3.657089184e-01 4.40 -5.649651605e-02 -2.432984082e-01 -3.469458513e-01 4.42 -5.024655110e-02 -2.282327311e-01 -3.283162221e-01 4.44 -4.571575689e-02 -2.137176316e-01 -3.098261212e-01 4.46 -4.211741478e-02 -1.997688633e-01 -2.916012464e-01 4.48 -3.869775419e-02 -1.863941074e-01 -2.737511931e-01 4.50 -3.546888456e-02 -1.735944889e-01 -2.563604154e-01 4.52 -3.242079913e-02 -1.613658572e-01 -2.394923940e-01 4.54 -2.954376140e-02 -1.496998637e-01 -2.231931869e-01 4.56 -2.682848292e-02 -1.385848666e-01 -2.074944482e-01 4.58 -2.426611785e-02 -1.280073601e-01 -1.924159952e-01 4.60 -2.184825328e-02 -1.180904474e-01 -1.779679749e-01 4.62 -1.956689792e-02 -1.088019415e-01 -1.641526992e-01 4.64 -1.741446905e-02 -9.997924601e-02 -1.509661903e-01 4.66 -1.538377826e-02 -9.160432340e-02 -1.383994796e-01 4.68 -1.346801633e-02 -8.365887056e-02 -1.264396965e-01 4.70 -1.166073755e-02 -7.612453201e-02 -1.150709758e-01 4.72 -9.955844023e-03 -6.898307207e-02 -1.042752139e-01 4.74 -8.342019985e-03 -6.221651271e-02 -9.403269613e-02 4.76 -7.330260929e-03 -5.580723926e-02 -8.432260892e-02 4.78 -6.376266956e-03 -4.973808385e-02 -7.512346290e-02 4.80 -5.470759253e-03 -4.399238768e-02 -6.641343581e-02 4.82 -4.611329388e-03 -3.855404623e-02 -5.817064927e-02 4.84 -3.795685286e-03 -3.340754036e-02 -5.037338961e-02 4.86 -3.021645802e-03 -2.853795549e-02 -4.300028149e-02 4.88 -2.287135843e-03 -2.393099290e-02 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-1.541281153e-03 5.26 0.000000000e+00 -6.640152018e-04 -9.960228027e-04 5.28 0.000000000e+00 -3.221228551e-04 -4.831842827e-04 5.30 0.000000000e+00 -5.005748140e-16 -5.865772332e-16 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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