# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag3Cu # 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 2023-05-12 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 3.035246182e+02 nan nan 0.84 2.798468567e+02 nan nan 0.86 2.584083068e+02 nan nan 0.88 2.389139451e+02 nan nan 0.90 2.211774586e+02 2.975917220e+02 nan 0.92 2.050049059e+02 2.763300691e+02 3.040712376e+02 0.94 1.901531752e+02 2.568610107e+02 2.828325791e+02 0.96 1.764447538e+02 2.390224062e+02 2.634103211e+02 0.98 1.638113246e+02 2.226468928e+02 2.455644408e+02 1.00 1.521612207e+02 2.076133103e+02 2.291153730e+02 1.02 1.413972962e+02 1.937870779e+02 2.139217094e+02 1.04 1.314663701e+02 1.809621002e+02 1.998775631e+02 1.06 1.223111790e+02 1.690075008e+02 1.868632740e+02 1.08 1.138812726e+02 1.578939250e+02 1.747905433e+02 1.10 1.060983502e+02 1.476053318e+02 1.636027210e+02 1.12 9.888268698e+01 1.380711030e+02 1.532273611e+02 1.14 9.219022414e+01 1.292210992e+02 1.436030287e+02 1.16 8.598161148e+01 1.210123202e+02 1.346709128e+02 1.18 8.020801303e+01 1.133837299e+02 1.263582045e+02 1.20 7.484966472e+01 1.062828034e+02 1.185931479e+02 1.22 6.988423001e+01 9.964522124e+01 1.113434899e+02 1.24 6.526053353e+01 9.343184134e+01 1.045876218e+02 1.26 6.093085695e+01 8.761805034e+01 9.827318833e+01 1.28 5.687834674e+01 8.217341350e+01 9.234148288e+01 1.30 5.310739126e+01 7.708101051e+01 8.676208709e+01 1.32 4.960900878e+01 7.231487415e+01 8.153582480e+01 1.34 4.635712371e+01 6.783965729e+01 7.664833832e+01 1.36 4.332322004e+01 6.364201694e+01 7.208103304e+01 1.38 4.049110844e+01 5.972808439e+01 6.781826447e+01 1.40 3.785086549e+01 5.609307326e+01 6.382633725e+01 1.42 3.538820972e+01 5.271106664e+01 6.007629053e+01 1.44 3.308138640e+01 4.955770585e+01 5.654867159e+01 1.46 3.090848568e+01 4.661037174e+01 5.321871253e+01 1.48 2.884984865e+01 4.384315049e+01 5.007620789e+01 1.50 2.689059273e+01 4.123393021e+01 4.712017615e+01 1.52 2.503023911e+01 3.876543179e+01 4.434202123e+01 1.54 2.327298616e+01 3.642479336e+01 4.172536909e+01 1.56 2.161839183e+01 3.420995577e+01 3.926434785e+01 1.58 2.005905152e+01 3.211942225e+01 3.695474295e+01 1.60 1.858686807e+01 3.014765755e+01 3.478649597e+01 1.62 1.719097529e+01 2.828185515e+01 3.274411758e+01 1.64 1.586283751e+01 2.651271109e+01 3.081374346e+01 1.66 1.460045538e+01 2.483889334e+01 2.898359779e+01 1.68 1.340388186e+01 2.326033862e+01 2.724221013e+01 1.70 1.227409726e+01 2.177159825e+01 2.558029215e+01 1.72 1.121303106e+01 2.036237747e+01 2.399001820e+01 1.74 1.022174134e+01 1.902242883e+01 2.246470599e+01 1.76 9.295546684e+00 1.774150844e+01 2.100641433e+01 1.78 8.427782587e+00 1.650963302e+01 1.962270418e+01 1.80 7.613001146e+00 1.532319395e+01 1.831989252e+01 1.82 6.846566705e+00 1.418405490e+01 1.709381058e+01 1.84 6.124082817e+00 1.309624451e+01 1.593667271e+01 1.86 5.442159004e+00 1.206380065e+01 1.484158470e+01 1.88 4.798012234e+00 1.108880562e+01 1.380199561e+01 1.90 4.188893779e+00 1.017131065e+01 1.281327513e+01 1.92 3.612414114e+00 9.306522959e+00 1.187307530e+01 1.94 3.066534104e+00 8.489194477e+00 1.098044467e+01 1.96 2.549591539e+00 7.714958684e+00 1.013266074e+01 1.98 2.061269708e+00 6.980533078e+00 9.325868308e+00 2.00 1.602199757e+00 6.283290293e+00 8.556242632e+00 2.02 1.173011605e+00 5.622551893e+00 7.820173414e+00 2.04 7.731742857e-01 4.998477571e+00 7.113861818e+00 2.06 4.009038732e-01 4.411048498e+00 6.434171518e+00 2.08 5.567728408e-02 3.858882456e+00 5.782029406e+00 2.10 -2.624827482e-01 3.340082723e+00 5.159961238e+00 2.12 -5.533839295e-01 2.852783681e+00 4.570806041e+00 2.14 -8.178499445e-01 2.395128719e+00 4.015338361e+00 2.16 -1.057647052e+00 1.965117349e+00 3.492030713e+00 2.18 -1.274254201e+00 1.560549454e+00 2.999256538e+00 2.20 -1.469389787e+00 1.179701519e+00 2.534883543e+00 2.22 -1.645381664e+00 8.211780422e-01 2.096066030e+00 2.24 -1.804595557e+00 4.836513357e-01 1.680202318e+00 2.26 -1.949078232e+00 1.657945643e-01 1.285405420e+00 2.28 -2.080549707e+00 -1.337605785e-01 9.104795626e-01 2.30 -2.200598248e+00 -4.162979736e-01 5.545613570e-01 2.32 -2.310072625e+00 -6.824889581e-01 2.183043978e-01 2.34 -2.409462895e+00 -9.324729632e-01 -9.694579741e-02 2.36 -2.499245957e+00 -1.166487557e+00 -3.898353906e-01 2.38 -2.580015470e+00 -1.385121442e+00 -6.595692873e-01 2.40 -2.652773958e+00 -1.589551027e+00 -9.072960382e-01 2.42 -2.718604163e+00 -1.779440354e+00 -1.134576813e+00 2.44 -2.778435276e+00 -1.953505383e+00 -1.342936010e+00 2.46 -2.832771957e+00 -2.110443930e+00 -1.533886807e+00 2.48 -2.880298554e+00 -2.249206417e+00 -1.708940975e+00 2.50 -2.919083989e+00 -2.370649979e+00 -1.869609351e+00 2.52 -2.947292758e+00 -2.476438984e+00 -2.017326447e+00 2.54 -2.963564472e+00 -2.568028626e+00 -2.153107198e+00 2.56 -2.968591155e+00 -2.646799952e+00 -2.277873592e+00 2.58 -2.963611461e+00 -2.714009015e+00 -2.392408988e+00 2.60 -2.949663506e+00 -2.770681825e+00 -2.497403001e+00 2.62 -2.927754580e+00 -2.817814628e+00 -2.593718159e+00 2.64 -2.898891456e+00 -2.856183471e+00 -2.682214713e+00 2.66 -2.864080271e+00 -2.886220571e+00 -2.763259003e+00 2.68 -2.824324898e+00 -2.908431384e+00 -2.835868028e+00 2.70 -2.780453319e+00 -2.923797414e+00 -2.898830628e+00 2.72 -2.732957252e+00 -2.933430841e+00 -2.950950964e+00 2.74 -2.682290654e+00 -2.938276812e+00 -2.991229855e+00 2.76 -2.628907777e+00 -2.939037610e+00 -3.020081266e+00 2.78 -2.573263127e+00 -2.936346116e+00 -3.038551863e+00 2.80 -2.515811400e+00 -2.930829203e+00 -3.047688224e+00 2.82 -2.457007409e+00 -2.922803740e+00 -3.048533534e+00 2.84 -2.397290543e+00 -2.911739668e+00 -3.042127273e+00 2.86 -2.336991166e+00 -2.896963397e+00 -3.029504869e+00 2.88 -2.276392570e+00 -2.877801085e+00 -3.011697316e+00 2.90 -2.215771958e+00 -2.853608690e+00 -2.989711785e+00 2.92 -2.155298836e+00 -2.824326452e+00 -2.964184004e+00 2.94 -2.095044930e+00 -2.790424536e+00 -2.935416036e+00 2.96 -2.035077431e+00 -2.752391821e+00 -2.903695123e+00 2.98 -1.975462195e+00 -2.710716613e+00 -2.869248890e+00 3.00 -1.916263394e+00 -2.665886546e+00 -2.832246508e+00 3.02 -1.857543116e+00 -2.618388488e+00 -2.792854482e+00 3.04 -1.799360901e+00 -2.568708425e+00 -2.751239054e+00 3.06 -1.741773214e+00 -2.517331328e+00 -2.707566156e+00 3.08 -1.684832834e+00 -2.464715884e+00 -2.662003374e+00 3.10 -1.628588179e+00 -2.411118380e+00 -2.614810380e+00 3.12 -1.573082518e+00 -2.356699186e+00 -2.566375431e+00 3.14 -1.518353096e+00 -2.301623223e+00 -2.517094113e+00 3.16 -1.464430141e+00 -2.246056414e+00 -2.467306934e+00 3.18 -1.411335731e+00 -2.190143805e+00 -2.417258678e+00 3.20 -1.359082518e+00 -2.133977123e+00 -2.367111295e+00 3.22 -1.307676467e+00 -2.077639016e+00 -2.317014352e+00 3.24 -1.257131829e+00 -2.021211168e+00 -2.267109269e+00 3.26 -1.207457851e+00 -1.964773995e+00 -2.217337736e+00 3.28 -1.158651757e+00 -1.908406285e+00 -2.167436755e+00 3.30 -1.110696881e+00 -1.852184775e+00 -2.117134151e+00 3.32 -1.063560494e+00 -1.796183660e+00 -2.066157850e+00 3.34 -1.017191454e+00 -1.740474042e+00 -2.014236371e+00 3.36 -9.715685139e-01 -1.685123332e+00 -1.961224645e+00 3.38 -9.267749216e-01 -1.630194614e+00 -1.907268358e+00 3.40 -8.829080053e-01 -1.575746009e+00 -1.852553914e+00 3.42 -8.400626802e-01 -1.521830082e+00 -1.797267643e+00 3.44 -7.983302484e-01 -1.468493323e+00 -1.741595746e+00 3.46 -7.577969920e-01 -1.415775752e+00 -1.685724222e+00 3.48 -7.185423018e-01 -1.363710657e+00 -1.629838787e+00 3.50 -6.806371546e-01 -1.312324476e+00 -1.574124764e+00 3.52 -6.441425365e-01 -1.261636761e+00 -1.518766960e+00 3.54 -6.091078716e-01 -1.211660151e+00 -1.463949485e+00 3.56 -5.755657523e-01 -1.162410085e+00 -1.409824472e+00 3.58 -5.435279479e-01 -1.113929267e+00 -1.356442598e+00 3.60 -5.129905832e-01 -1.066269608e+00 -1.303837850e+00 3.62 -4.839383406e-01 -1.019494549e+00 -1.252058898e+00 3.64 -4.563520133e-01 -9.736692013e-01 -1.201159127e+00 3.66 -4.301455794e-01 -9.288600203e-01 -1.151193775e+00 3.68 -4.052819117e-01 -8.851356566e-01 -1.102219823e+00 3.70 -3.822715868e-01 -8.425669032e-01 -1.054295808e+00 3.72 -3.616012213e-01 -8.012267021e-01 -1.007481553e+00 3.74 -3.426754830e-01 -7.611902707e-01 -9.618376832e-01 3.76 -3.242975713e-01 -7.225349979e-01 -9.174248924e-01 3.78 -3.056030832e-01 -6.853409143e-01 -8.743033217e-01 3.80 -2.860119037e-01 -6.496923100e-01 -8.325309455e-01 3.82 -2.669898708e-01 -6.156846263e-01 -7.921622980e-01 3.84 -2.497162815e-01 -5.834877126e-01 -7.532465580e-01 3.86 -2.348884922e-01 -5.530538674e-01 -7.158251204e-01 3.88 -2.213458400e-01 -5.242552075e-01 -6.799288602e-01 3.90 -2.081388007e-01 -4.971235390e-01 -6.455748790e-01 3.92 -1.950646758e-01 -4.716819391e-01 -6.127629245e-01 3.94 -1.823966904e-01 -4.479275969e-01 -5.814744654e-01 3.96 -1.709395080e-01 -4.258518294e-01 -5.516650615e-01 3.98 -1.614405118e-01 -4.053718481e-01 -5.232644162e-01 4.00 -1.517913868e-01 -3.862778715e-01 -4.961754687e-01 4.02 -1.422735953e-01 -3.682907449e-01 -4.702707348e-01 4.04 -1.330425935e-01 -3.510975077e-01 -4.453876117e-01 4.06 -1.241361251e-01 -3.344195934e-01 -4.213430925e-01 4.08 -1.155114028e-01 -3.183105574e-01 -3.979232136e-01 4.10 -1.070808923e-01 -3.029278222e-01 -3.747251485e-01 4.12 -9.883087776e-02 -2.879134112e-01 -3.519012188e-01 4.14 -9.079902338e-02 -2.731104775e-01 -3.297401333e-01 4.16 -8.301734891e-02 -2.578755393e-01 -3.082642526e-01 4.18 -7.551223419e-02 -2.415900379e-01 -2.872583661e-01 4.20 -6.830514173e-02 -2.239802367e-01 -2.662808238e-01 4.22 -6.141326930e-02 -2.051868055e-01 -2.452110435e-01 4.24 -5.485013748e-02 -1.855699185e-01 -2.243579474e-01 4.26 -4.862611684e-02 -1.654470428e-01 -2.036596962e-01 4.28 -4.274889940e-02 -1.451588154e-01 -1.830143173e-01 4.30 -3.722391848e-02 -1.252995935e-01 -1.624170212e-01 4.32 -3.205472118e-02 -1.063188849e-01 -1.419307532e-01 4.34 -2.724329716e-02 -8.852367530e-02 -1.216863191e-01 4.36 -2.279036749e-02 -7.209948152e-02 -1.018664231e-01 4.38 -1.869563706e-02 -5.723485123e-02 -8.270855541e-02 4.40 -1.495801355e-02 -4.413933670e-02 -6.496546562e-02 4.42 -1.157579633e-02 -3.307258294e-02 -4.943942250e-02 4.44 -8.546837991e-03 -2.469984050e-02 -3.741068494e-02 4.46 -5.868681134e-03 -1.754033254e-02 -2.695489720e-02 4.48 -3.538673170e-03 -1.120920190e-02 -1.759111545e-02 4.50 -1.554061269e-03 -5.740587306e-03 -9.419051556e-03 4.52 8.793023567e-05 -1.157391183e-03 -2.509628396e-03 4.54 1.390037974e-03 2.526275543e-03 3.089016294e-03 4.56 2.354911309e-03 5.303043275e-03 7.346478562e-03 4.58 2.986790704e-03 7.175154244e-03 1.025273647e-02 4.60 3.316332284e-03 8.219333977e-03 1.191407978e-02 4.62 3.394950041e-03 8.570618918e-03 1.252771852e-02 4.64 3.274447719e-03 8.367166526e-03 1.229807745e-02 4.66 3.006448863e-03 7.748041109e-03 1.143273698e-02 4.68 2.642398415e-03 6.852677653e-03 1.014104718e-02 4.70 2.233568420e-03 5.820486518e-03 8.633085165e-03 4.72 1.831059562e-03 4.790555305e-03 7.118868782e-03 4.74 1.474071626e-03 3.870156989e-03 5.760870998e-03 4.76 1.166104609e-03 3.071145280e-03 4.578439520e-03 4.78 9.038308601e-04 2.386863358e-03 3.563045961e-03 4.80 6.838121379e-04 1.810016702e-03 2.705027702e-03 4.82 5.025144423e-04 1.332706576e-03 1.993606176e-03 4.84 3.563225558e-04 9.464865031e-04 1.416965619e-03 4.86 2.415539554e-04 6.424329368e-04 9.623712026e-04 4.88 1.544718272e-04 4.112229053e-04 6.163091897e-04 4.90 9.129696450e-05 2.432127910e-04 3.646351202e-04 4.92 4.821837765e-05 1.285136728e-04 1.927190482e-04 4.94 2.140248549e-05 5.705975260e-05 8.557947585e-05 4.96 7.000793082e-06 1.866733184e-05 2.799991061e-05 4.98 1.155990787e-06 3.082602563e-06 4.623874193e-06 5.00 6.433573906e-09 1.715619587e-08 2.573429291e-08 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 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 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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