# 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 = CuNi3 # 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 3.909998205e+02 nan nan 0.82 3.663574945e+02 nan nan 0.84 3.432605403e+02 nan nan 0.86 3.214530780e+02 nan nan 0.88 3.007648591e+02 nan nan 0.90 2.810734282e+02 3.625412386e+02 nan 0.92 2.623027262e+02 3.417065275e+02 3.683088412e+02 0.94 2.443959395e+02 3.218654369e+02 3.479037533e+02 0.96 2.273294906e+02 3.029005321e+02 3.284736765e+02 0.98 2.110764226e+02 2.847278946e+02 3.098815970e+02 1.00 1.956173456e+02 2.672977059e+02 2.920592208e+02 1.02 1.809524506e+02 2.505767928e+02 2.749374662e+02 1.04 1.670736980e+02 2.345467486e+02 2.584845177e+02 1.06 1.539635527e+02 2.191960515e+02 2.426718296e+02 1.08 1.416167493e+02 2.045237576e+02 2.274892967e+02 1.10 1.300129776e+02 1.905118567e+02 2.129273030e+02 1.12 1.191382922e+02 1.771627328e+02 1.989752322e+02 1.14 1.089714677e+02 1.644688063e+02 1.856409918e+02 1.16 9.948685577e+01 1.524308830e+02 1.729187986e+02 1.18 9.065946985e+01 1.410333700e+02 1.608054938e+02 1.20 8.246529000e+01 1.302741852e+02 1.493025743e+02 1.22 7.487404828e+01 1.201354711e+02 1.383977353e+02 1.24 6.785313608e+01 1.106086228e+02 1.280881780e+02 1.26 6.137910926e+01 1.016732811e+02 1.183530333e+02 1.28 5.542016843e+01 9.330641566e+01 1.091881468e+02 1.30 4.994685011e+01 8.549042552e+01 1.005739391e+02 1.32 4.492608134e+01 7.820155562e+01 9.249698159e+01 1.34 4.032933548e+01 7.141709360e+01 8.493278634e+01 1.36 3.613164360e+01 6.511701760e+01 7.786128168e+01 1.38 3.230319010e+01 5.927617597e+01 7.126663317e+01 1.40 2.881971524e+01 5.386810022e+01 6.512306514e+01 1.42 2.565589522e+01 4.886586887e+01 5.941521450e+01 1.44 2.278573659e+01 4.425036360e+01 5.412120208e+01 1.46 2.018879554e+01 3.999867334e+01 4.921682568e+01 1.48 1.784396386e+01 3.608874958e+01 4.468243541e+01 1.50 1.572894968e+01 3.250054886e+01 4.049721628e+01 1.52 1.382692550e+01 2.921350738e+01 3.663950136e+01 1.54 1.212100792e+01 2.620674164e+01 3.308724269e+01 1.56 1.059405084e+01 2.346127502e+01 2.982469036e+01 1.58 9.228009535e+00 2.095849473e+01 2.683179735e+01 1.60 8.011848688e+00 1.868077262e+01 2.409116919e+01 1.62 6.868507702e+00 1.660709603e+01 2.158091499e+01 1.64 5.874614597e+00 1.472681075e+01 1.929018345e+01 1.66 4.942574296e+00 1.302394579e+01 1.720194579e+01 1.68 4.092957620e+00 1.148484091e+01 1.530159972e+01 1.70 3.306303952e+00 1.009713800e+01 1.357630920e+01 1.72 2.577807561e+00 8.846371262e+00 1.201227117e+01 1.74 1.905342880e+00 7.724478958e+00 1.059789546e+01 1.76 1.284479456e+00 6.678770846e+00 9.321381650e+00 1.78 7.117634551e-01 5.737959146e+00 8.171875506e+00 1.80 1.847874876e-01 4.870650225e+00 7.139385501e+00 1.82 -2.984603477e-01 4.077983223e+00 6.146618816e+00 1.84 -7.407772174e-01 3.340393155e+00 5.263137175e+00 1.86 -1.146137128e+00 2.654617718e+00 4.456486349e+00 1.88 -1.515236096e+00 2.015331525e+00 3.703469081e+00 1.90 -1.849489992e+00 1.422593163e+00 3.001015735e+00 1.92 -2.151052693e+00 8.719226300e-01 2.347725253e+00 1.94 -2.423325935e+00 3.609377137e-01 1.740722343e+00 1.96 -2.668224426e+00 -1.107337269e-01 1.177293787e+00 1.98 -2.887555586e+00 -5.461745933e-01 6.540996261e-01 2.00 -3.083025685e+00 -9.471257982e-01 1.697040669e-01 2.02 -3.256245533e+00 -1.315285745e+00 -2.781646333e-01 2.04 -3.408731925e+00 -1.652643529e+00 -6.919291505e-01 2.06 -3.541506565e+00 -1.960648740e+00 -1.073280543e+00 2.08 -3.656568115e+00 -2.240528195e+00 -1.424109667e+00 2.10 -3.755117667e+00 -2.495108721e+00 -1.746208085e+00 2.12 -3.838570753e+00 -2.725917730e+00 -2.041262989e+00 2.14 -3.907159054e+00 -2.934422227e+00 -2.309022930e+00 2.16 -3.962573658e+00 -3.122156893e+00 -2.554289319e+00 2.18 -4.006779928e+00 -3.290286543e+00 -2.777688705e+00 2.20 -4.039586662e+00 -3.440020735e+00 -2.979918635e+00 2.22 -4.061886841e+00 -3.572535905e+00 -3.162545035e+00 2.24 -4.074526292e+00 -3.688245580e+00 -3.327039392e+00 2.26 -4.077874353e+00 -3.788870727e+00 -3.473916096e+00 2.28 -4.073137510e+00 -3.875525134e+00 -3.604282293e+00 2.30 -4.061010003e+00 -3.949140162e+00 -3.718629327e+00 2.32 -4.042139588e+00 -4.010337953e+00 -3.818341405e+00 2.34 -4.017132411e+00 -4.059872517e+00 -3.904605004e+00 2.36 -3.986555226e+00 -4.098774748e+00 -3.978297432e+00 2.38 -3.950937539e+00 -4.127965502e+00 -4.040248349e+00 2.40 -3.910773646e+00 -4.148142341e+00 -4.090644852e+00 2.42 -3.866969918e+00 -4.160476804e+00 -4.131535864e+00 2.44 -3.819475421e+00 -4.165015175e+00 -4.162912430e+00 2.46 -3.768694344e+00 -4.161991817e+00 -4.185444258e+00 2.48 -3.715078023e+00 -4.152450419e+00 -4.199847332e+00 2.50 -3.657366980e+00 -4.137031027e+00 -4.206870495e+00 2.52 -3.597425628e+00 -4.117047836e+00 -4.206614429e+00 2.54 -3.535146235e+00 -4.092370654e+00 -4.199667371e+00 2.56 -3.470820726e+00 -4.062901784e+00 -4.186722028e+00 2.58 -3.406167931e+00 -4.029066161e+00 -4.168251715e+00 2.60 -3.340778579e+00 -3.991844413e+00 -4.144702600e+00 2.62 -3.274478159e+00 -3.951175635e+00 -4.116495011e+00 2.64 -3.207465220e+00 -3.907213239e+00 -4.084024693e+00 2.66 -3.139915555e+00 -3.860290579e+00 -4.047663989e+00 2.68 -3.072304704e+00 -3.810715962e+00 -4.007762998e+00 2.70 -3.004507307e+00 -3.758465116e+00 -3.964650675e+00 2.72 -2.936629692e+00 -3.703126994e+00 -3.918635887e+00 2.74 -2.868802492e+00 -3.645759838e+00 -3.870008432e+00 2.76 -2.801517041e+00 -3.586672314e+00 -3.819037671e+00 2.78 -2.734640021e+00 -3.525568266e+00 -3.766331640e+00 2.80 -2.668116641e+00 -3.463443800e+00 -3.711407947e+00 2.82 -2.602038294e+00 -3.400450565e+00 -3.654883718e+00 2.84 -2.536487650e+00 -3.336753656e+00 -3.596738378e+00 2.86 -2.471578664e+00 -3.272506339e+00 -3.536768259e+00 2.88 -2.407663496e+00 -3.207850688e+00 -3.476558941e+00 2.90 -2.344462881e+00 -3.142918258e+00 -3.415481258e+00 2.92 -2.282031225e+00 -3.077830663e+00 -3.353692306e+00 2.94 -2.220416832e+00 -3.012718315e+00 -3.291338151e+00 2.96 -2.159660442e+00 -2.948651625e+00 -3.228554475e+00 2.98 -2.099809466e+00 -2.884679617e+00 -3.165467157e+00 3.00 -2.040881234e+00 -2.820906908e+00 -3.102192817e+00 3.02 -1.982851796e+00 -2.757417761e+00 -3.038839380e+00 3.04 -1.925660629e+00 -2.694499666e+00 -2.975506576e+00 3.06 -1.869427038e+00 -2.632269944e+00 -2.912286367e+00 3.08 -1.814040199e+00 -2.570516263e+00 -2.849263492e+00 3.10 -1.759206539e+00 -2.509297748e+00 -2.786515869e+00 3.12 -1.705265740e+00 -2.448667974e+00 -2.724114967e+00 3.14 -1.652463743e+00 -2.388675317e+00 -2.662126219e+00 3.16 -1.600755227e+00 -2.329363301e+00 -2.600609401e+00 3.18 -1.550123862e+00 -2.270770987e+00 -2.539618976e+00 3.20 -1.500574265e+00 -2.212933248e+00 -2.479204418e+00 3.22 -1.452106187e+00 -2.155879206e+00 -2.419410542e+00 3.24 -1.404706124e+00 -2.099642821e+00 -2.360277827e+00 3.26 -1.358375803e+00 -2.044244752e+00 -2.301842601e+00 3.28 -1.313104549e+00 -1.989659045e+00 -2.244137282e+00 3.30 -1.268873796e+00 -1.935866042e+00 -2.187190636e+00 3.32 -1.225686984e+00 -1.882896239e+00 -2.131026631e+00 3.34 -1.183533055e+00 -1.830611108e+00 -2.075680306e+00 3.36 -1.142375278e+00 -1.778842097e+00 -2.021144394e+00 3.38 -1.102216800e+00 -1.727818578e+00 -1.967387246e+00 3.40 -1.063067980e+00 -1.677774955e+00 -1.914611929e+00 3.42 -1.024885109e+00 -1.628707276e+00 -1.863077977e+00 3.44 -9.876032716e-01 -1.580591258e+00 -1.812054329e+00 3.46 -9.512376027e-01 -1.533426656e+00 -1.761556031e+00 3.48 -9.158366130e-01 -1.487213680e+00 -1.711900415e+00 3.50 -8.814015910e-01 -1.441948188e+00 -1.663196671e+00 3.52 -8.476661320e-01 -1.397621776e+00 -1.615716316e+00 3.54 -8.147507179e-01 -1.354231824e+00 -1.569131323e+00 3.56 -7.828711041e-01 -1.311770859e+00 -1.523443471e+00 3.58 -7.521012806e-01 -1.270225552e+00 -1.478655307e+00 3.60 -7.224414321e-01 -1.229591753e+00 -1.434758658e+00 3.62 -6.938892391e-01 -1.189862479e+00 -1.391749374e+00 3.64 -6.666469351e-01 -1.151018674e+00 -1.349630271e+00 3.66 -6.405616892e-01 -1.113052044e+00 -1.308386275e+00 3.68 -6.151274127e-01 -1.075952701e+00 -1.268009490e+00 3.70 -5.899878970e-01 -1.039714698e+00 -1.228504166e+00 3.72 -5.649049407e-01 -1.004312080e+00 -1.189855392e+00 3.74 -5.397244736e-01 -9.697203801e-01 -1.152044558e+00 3.76 -5.143465428e-01 -9.359309879e-01 -1.115067676e+00 3.78 -4.887849940e-01 -9.028871141e-01 -1.078933255e+00 3.80 -4.630866594e-01 -8.706295062e-01 -1.043614845e+00 3.82 -4.373132446e-01 -8.390651662e-01 -1.009084283e+00 3.84 -4.114493216e-01 -8.082843063e-01 -9.753275835e-01 3.86 -3.855526721e-01 -7.784236873e-01 -9.423406802e-01 3.88 -3.599322517e-01 -7.496097875e-01 -9.101615494e-01 3.90 -3.348294426e-01 -7.218954583e-01 -8.786963770e-01 3.92 -3.105050240e-01 -6.952510463e-01 -8.477973136e-01 3.94 -2.903244220e-01 -6.695070142e-01 -8.176210587e-01 3.96 -2.708807131e-01 -6.446694150e-01 -7.882963416e-01 3.98 -2.522619286e-01 -6.204295666e-01 -7.599546504e-01 4.00 -2.344830720e-01 -5.964821936e-01 -7.326167709e-01 4.02 -2.175469800e-01 -5.726166690e-01 -7.062641329e-01 4.04 -2.014469167e-01 -5.486969143e-01 -6.810016159e-01 4.06 -1.861687157e-01 -5.246448406e-01 -6.568544757e-01 4.08 -1.716925431e-01 -5.004041551e-01 -6.334064067e-01 4.10 -1.579943453e-01 -4.759641953e-01 -6.103379594e-01 4.12 -1.450470285e-01 -4.513603468e-01 -5.874230789e-01 4.14 -1.328214176e-01 -4.267353327e-01 -5.645099608e-01 4.16 -1.212870301e-01 -4.024211779e-01 -5.415052068e-01 4.18 -1.104126954e-01 -3.798985691e-01 -5.183552355e-01 4.20 -1.001670488e-01 -3.576357119e-01 -4.950258379e-01 4.22 -9.051891688e-02 -3.358477223e-01 -4.715575068e-01 4.24 -8.143761764e-02 -3.146498492e-01 -4.480078405e-01 4.26 -7.289318938e-02 -2.941272197e-01 -4.243940348e-01 4.28 -6.486119376e-02 -2.743258667e-01 -4.007006118e-01 4.30 -5.760864774e-02 -2.560893940e-01 -3.771636380e-01 4.32 -5.143683438e-02 -2.389807354e-01 -3.539880573e-01 4.34 -4.561582509e-02 -2.226191714e-01 -3.313318792e-01 4.36 -4.014018292e-02 -2.070046320e-01 -3.093143579e-01 4.38 -3.499028798e-02 -1.921298234e-01 -2.880228796e-01 4.40 -3.014744447e-02 -1.779817942e-01 -2.675187510e-01 4.42 -2.557262576e-02 -1.645432374e-01 -2.478420567e-01 4.44 -2.266229500e-02 -1.517935665e-01 -2.290157240e-01 4.46 -2.067275591e-02 -1.397098032e-01 -2.110489182e-01 4.48 -1.879736727e-02 -1.282673050e-01 -1.939398709e-01 4.50 -1.702967971e-02 -1.174403586e-01 -1.776782274e-01 4.52 -1.536360153e-02 -1.072026617e-01 -1.622469947e-01 4.54 -1.379337937e-02 -9.752770868e-02 -1.476241422e-01 4.56 -1.231358041e-02 -8.838909828e-02 -1.337839201e-01 4.58 -1.091907515e-02 -7.976077619e-02 -1.206979368e-01 4.60 -9.605021038e-03 -7.161722278e-02 -1.083360345e-01 4.62 -8.366846771e-03 -6.393359580e-02 -9.666699636e-02 4.64 -7.200237482e-03 -5.668583608e-02 -8.565911379e-02 4.66 -6.101120589e-03 -4.985074275e-02 -7.528063646e-02 4.68 -5.065652410e-03 -4.340602364e-02 -6.550012581e-02 4.70 -4.090205466e-03 -3.733032561e-02 -5.628672834e-02 4.72 -3.171356456e-03 -3.160324870e-02 -4.761038315e-02 4.74 -2.305874885e-03 -2.620534730e-02 -3.944197540e-02 4.76 -1.490712299e-03 -2.111812126e-02 -3.175344565e-02 4.78 -7.229921134e-04 -1.632399905e-02 -2.451786347e-02 4.80 -6.117310439e-17 -1.180631482e-02 -1.770947223e-02 4.82 2.100362171e-47 -9.939925339e-03 -1.490988801e-02 4.84 0.000000000e+00 -8.172384087e-03 -1.225857613e-02 4.86 0.000000000e+00 -6.498534152e-03 -9.747801227e-03 4.88 0.000000000e+00 -4.913477576e-03 -7.370216363e-03 4.90 0.000000000e+00 -3.412564269e-03 -5.118846403e-03 4.92 0.000000000e+00 -1.991381031e-03 -2.987071547e-03 4.94 0.000000000e+00 -6.457407645e-04 -9.686111468e-04 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 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