# 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 = Au3Pd # 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 1.046454086e+03 nan nan 0.92 9.542484859e+02 nan nan 0.94 8.710859973e+02 nan nan 0.96 7.959642057e+02 nan nan 0.98 7.280058104e+02 1.051762901e+03 nan 1.00 6.664413492e+02 9.662333338e+02 1.087800052e+03 1.02 6.105936785e+02 8.884543237e+02 1.001363210e+03 1.04 5.598667793e+02 8.176302404e+02 9.225911343e+02 1.06 5.137344895e+02 7.530584221e+02 8.507124054e+02 1.08 4.717309270e+02 6.941163601e+02 7.850447453e+02 1.10 4.334422738e+02 6.402503819e+02 7.249807795e+02 1.12 3.985018823e+02 5.909690919e+02 6.699814060e+02 1.14 3.665831605e+02 5.458342061e+02 6.195651446e+02 1.16 3.373950577e+02 5.044538364e+02 5.733026421e+02 1.18 3.106773534e+02 4.664779440e+02 5.308096983e+02 1.20 2.861974939e+02 4.315930966e+02 4.917414735e+02 1.22 2.637474366e+02 3.995181740e+02 4.557889186e+02 1.24 2.431400534e+02 3.699997956e+02 4.226741442e+02 1.26 2.242077558e+02 3.428107503e+02 3.921463880e+02 1.28 2.067996518e+02 3.177462125e+02 3.639800066e+02 1.30 1.907801745e+02 2.946216378e+02 3.379715049e+02 1.32 1.760267303e+02 2.732695160e+02 3.139366181e+02 1.34 1.624288829e+02 2.535388577e+02 2.917085422e+02 1.36 1.498867871e+02 2.352929801e+02 2.711363275e+02 1.38 1.383103378e+02 2.184080367e+02 2.520831918e+02 1.40 1.276175595e+02 2.027718162e+02 2.344246579e+02 1.42 1.177343837e+02 1.882821753e+02 2.180475246e+02 1.44 1.085933821e+02 1.748460839e+02 2.028489016e+02 1.46 1.001336154e+02 1.623789736e+02 1.887349655e+02 1.48 9.229963305e+01 1.508037608e+02 1.756204809e+02 1.50 8.504070004e+01 1.400503019e+02 1.634272665e+02 1.52 7.831081152e+01 1.300545049e+02 1.520838439e+02 1.54 7.206780501e+01 1.207578622e+02 1.415249980e+02 1.56 6.627339924e+01 1.121067352e+02 1.316909325e+02 1.58 6.089263213e+01 1.040519442e+02 1.225271219e+02 1.60 5.589365040e+01 9.654840965e+01 1.139835197e+02 1.62 5.124681603e+01 8.955490729e+01 1.060142653e+02 1.64 4.692543711e+01 8.303351513e+01 9.857692732e+01 1.66 4.290489931e+01 7.694955938e+01 9.163275129e+01 1.68 3.916259030e+01 7.127118091e+01 8.514604928e+01 1.70 3.567788241e+01 6.596904716e+01 7.908387978e+01 1.72 3.243475774e+01 6.101614507e+01 7.341613500e+01 1.74 2.941305532e+01 5.638754858e+01 6.811494744e+01 1.76 2.661014430e+01 5.206031492e+01 6.315461498e+01 1.78 2.400914524e+01 4.801336659e+01 5.851147347e+01 1.80 2.159707877e+01 4.422704640e+01 5.416343081e+01 1.82 1.936175339e+01 4.068324538e+01 5.009017945e+01 1.84 1.729167940e+01 3.736527561e+01 4.627299484e+01 1.86 1.537617601e+01 3.425942422e+01 4.269451689e+01 1.88 1.360516447e+01 3.135133162e+01 3.933863698e+01 1.90 1.196919649e+01 2.862902249e+01 3.619048524e+01 1.92 1.045949194e+01 2.608999635e+01 3.323912391e+01 1.94 9.067754516e+00 2.372040973e+01 3.046759523e+01 1.96 7.786193776e+00 2.151018962e+01 2.787660552e+01 1.98 6.607418240e+00 1.944981667e+01 2.545325565e+01 2.00 5.524506630e+00 1.753027888e+01 2.318783660e+01 2.02 4.531019042e+00 1.574313314e+01 2.107131663e+01 2.04 3.620828909e+00 1.408041548e+01 1.909484507e+01 2.06 2.788264780e+00 1.253462949e+01 1.725022880e+01 2.08 2.027869992e+00 1.109866039e+01 1.552975243e+01 2.10 1.334804474e+00 9.765779617e+00 1.392610496e+01 2.12 7.043781867e-01 8.529685496e+00 1.243222099e+01 2.14 1.321807334e-01 7.384386328e+00 1.104170314e+01 2.16 -3.859271466e-01 6.324185001e+00 9.748410399e+00 2.18 -8.538286752e-01 5.343774042e+00 8.546490290e+00 2.20 -1.275035502e+00 4.438241056e+00 7.430494819e+00 2.22 -1.652616007e+00 3.602737853e+00 6.395252640e+00 2.24 -1.990023146e+00 2.832898901e+00 5.435869013e+00 2.26 -2.290447276e+00 2.124603139e+00 4.547720524e+00 2.28 -2.556699229e+00 1.473916424e+00 3.726401531e+00 2.30 -2.791406206e+00 8.771128711e-01 2.967796894e+00 2.32 -2.997141077e+00 3.306597321e-01 2.268031221e+00 2.34 -3.176316814e+00 -1.686848049e-01 1.623433829e+00 2.36 -3.330851418e+00 -6.240252675e-01 1.030540362e+00 2.38 -3.462860809e+00 -1.038282053e+00 4.860169441e-01 2.40 -3.574132809e+00 -1.413921104e+00 -1.325191865e-02 2.42 -3.666321786e+00 -1.753632620e+00 -4.701101532e-01 2.44 -3.741241739e+00 -2.059866341e+00 -8.872927405e-01 2.46 -3.799999443e+00 -2.335082744e+00 -1.267214340e+00 2.48 -3.843804445e+00 -2.581443193e+00 -1.612164880e+00 2.50 -3.874424144e+00 -2.800978426e+00 -1.924836746e+00 2.52 -3.892958594e+00 -2.995595760e+00 -2.207313823e+00 2.54 -3.900502508e+00 -3.167085925e+00 -2.461597870e+00 2.56 -3.898088898e+00 -3.317129543e+00 -2.689602535e+00 2.58 -3.886675423e+00 -3.447303301e+00 -2.893128363e+00 2.60 -3.867149332e+00 -3.559085805e+00 -3.073868943e+00 2.62 -3.840332092e+00 -3.653863151e+00 -3.233416774e+00 2.64 -3.806983895e+00 -3.732934314e+00 -3.373269007e+00 2.66 -3.767891775e+00 -3.797572318e+00 -3.494943417e+00 2.68 -3.723696850e+00 -3.848711754e+00 -3.599755012e+00 2.70 -3.674914011e+00 -3.887335056e+00 -3.688834336e+00 2.72 -3.622095745e+00 -3.914572390e+00 -3.763345311e+00 2.74 -3.565751826e+00 -3.931470597e+00 -3.824369495e+00 2.76 -3.506351609e+00 -3.938898688e+00 -3.872671785e+00 2.78 -3.444385899e+00 -3.938047970e+00 -3.909334851e+00 2.80 -3.380362365e+00 -3.929668999e+00 -3.935620267e+00 2.82 -3.314515115e+00 -3.914092670e+00 -3.952174802e+00 2.84 -3.246409543e+00 -3.891977932e+00 -3.959790075e+00 2.86 -3.176021259e+00 -3.863939985e+00 -3.959207166e+00 2.88 -3.104780178e+00 -3.830552278e+00 -3.951119714e+00 2.90 -3.032930743e+00 -3.792413151e+00 -3.936176671e+00 2.92 -2.960699269e+00 -3.750668405e+00 -3.914984895e+00 2.94 -2.888302491e+00 -3.705028874e+00 -3.888111608e+00 2.96 -2.816280314e+00 -3.655925990e+00 -3.856086704e+00 2.98 -2.744899201e+00 -3.603760657e+00 -3.819404944e+00 3.00 -2.674035829e+00 -3.548905102e+00 -3.778528027e+00 3.02 -2.603589476e+00 -3.491704561e+00 -3.733886522e+00 3.04 -2.533685005e+00 -3.432478935e+00 -3.685881625e+00 3.06 -2.464441838e+00 -3.371529596e+00 -3.634903411e+00 3.08 -2.396224052e+00 -3.308987837e+00 -3.581840654e+00 3.10 -2.328997331e+00 -3.244138307e+00 -3.526458722e+00 3.12 -2.262659366e+00 -3.178014674e+00 -3.469042663e+00 3.14 -2.197280494e+00 -3.111221865e+00 -3.409865541e+00 3.16 -2.132922362e+00 -3.043946010e+00 -3.349283776e+00 3.18 -2.069637337e+00 -2.976366282e+00 -3.286607135e+00 3.20 -2.007471468e+00 -2.908645097e+00 -3.222088973e+00 3.22 -1.946462408e+00 -2.840930475e+00 -3.157548924e+00 3.24 -1.886642641e+00 -2.773351805e+00 -3.092574348e+00 3.26 -1.828037427e+00 -2.706317568e+00 -3.027157014e+00 3.28 -1.770668352e+00 -2.639738136e+00 -2.961457922e+00 3.30 -1.714548295e+00 -2.573615252e+00 -2.895624590e+00 3.32 -1.659694159e+00 -2.508040257e+00 -2.829792329e+00 3.34 -1.606109140e+00 -2.443095849e+00 -2.764085026e+00 3.36 -1.553794547e+00 -2.378856230e+00 -2.698615905e+00 3.38 -1.502747017e+00 -2.315387266e+00 -2.633488171e+00 3.40 -1.452962399e+00 -2.252783390e+00 -2.568795565e+00 3.42 -1.404405669e+00 -2.191544359e+00 -2.504623091e+00 3.44 -1.357034252e+00 -2.131205955e+00 -2.441047835e+00 3.46 -1.310813570e+00 -2.071810000e+00 -2.378138930e+00 3.48 -1.265745828e+00 -2.013391522e+00 -2.315958320e+00 3.50 -1.221832181e+00 -1.955981943e+00 -2.254561938e+00 3.52 -1.179067753e+00 -1.899606245e+00 -2.193998587e+00 3.54 -1.137465098e+00 -1.844286855e+00 -2.134312190e+00 3.56 -1.097036802e+00 -1.790040373e+00 -2.075540738e+00 3.58 -1.057776076e+00 -1.736880493e+00 -2.017717496e+00 3.60 -1.019627553e+00 -1.684818112e+00 -1.960871070e+00 3.62 -9.825880608e-01 -1.633863025e+00 -1.905025860e+00 3.64 -9.466591788e-01 -1.584015725e+00 -1.850201799e+00 3.66 -9.118411154e-01 -1.535272358e+00 -1.796416578e+00 3.68 -8.780924133e-01 -1.487640895e+00 -1.743681231e+00 3.70 -8.451697326e-01 -1.441118816e+00 -1.692008464e+00 3.72 -8.131495327e-01 -1.395671624e+00 -1.641406961e+00 3.74 -7.821461405e-01 -1.351241311e+00 -1.591873540e+00 3.76 -7.522411973e-01 -1.307797132e+00 -1.543545328e+00 3.78 -7.234894291e-01 -1.265342545e+00 -1.496351791e+00 3.80 -6.959235321e-01 -1.223889306e+00 -1.450225073e+00 3.82 -6.695908881e-01 -1.183454470e+00 -1.405139418e+00 3.84 -6.446640444e-01 -1.144045422e+00 -1.361046704e+00 3.86 -6.208713220e-01 -1.105673097e+00 -1.317903770e+00 3.88 -5.978761531e-01 -1.068320362e+00 -1.275713011e+00 3.90 -5.754320047e-01 -1.031958447e+00 -1.234480132e+00 3.92 -5.533641468e-01 -9.965745590e-01 -1.194215804e+00 3.94 -5.315545638e-01 -9.621710605e-01 -1.155200083e+00 3.96 -5.099295178e-01 -9.287495099e-01 -1.117234049e+00 3.98 -4.884493482e-01 -8.962811693e-01 -1.080259418e+00 4.00 -4.671001473e-01 -8.646206670e-01 -1.044231802e+00 4.02 -4.458869389e-01 -8.337277037e-01 -1.009140035e+00 4.04 -4.248140183e-01 -8.036923442e-01 -9.749874772e-01 4.06 -4.038882909e-01 -7.745989448e-01 -9.417771230e-01 4.08 -3.830946695e-01 -7.465078466e-01 -9.095107923e-01 4.10 -3.625952832e-01 -7.194593989e-01 -8.780909245e-01 4.12 -3.425341112e-01 -6.934774053e-01 -8.473691789e-01 4.14 -3.230201323e-01 -6.686649745e-01 -8.174369002e-01 4.16 -3.041335709e-01 -6.450645789e-01 -7.883847927e-01 4.18 -2.859311368e-01 -6.224173909e-01 -7.602795744e-01 4.20 -2.684504142e-01 -6.004466098e-01 -7.331678502e-01 4.22 -2.517135286e-01 -5.789469838e-01 -7.070794444e-01 4.24 -2.357302047e-01 -5.577710519e-01 -6.820358061e-01 4.26 -2.205003086e-01 -5.368176141e-01 -6.582166694e-01 4.28 -2.060159571e-01 -5.160221091e-01 -6.354795217e-01 4.30 -1.922632609e-01 -4.953486184e-01 -6.135278442e-01 4.32 -1.792237600e-01 -4.747832533e-01 -5.921329789e-01 4.34 -1.668756018e-01 -4.543287142e-01 -5.711267839e-01 4.36 -1.551945036e-01 -4.339998446e-01 -5.503900161e-01 4.38 -1.441545349e-01 -4.137952498e-01 -5.298425726e-01 4.40 -1.337287488e-01 -3.936714316e-01 -5.094353236e-01 4.42 -1.238896874e-01 -3.737576318e-01 -4.891433102e-01 4.44 -1.146097847e-01 -3.541941455e-01 -4.689601057e-01 4.46 -1.058616826e-01 -3.350896754e-01 -4.488931693e-01 4.48 -9.761847633e-02 -3.165266233e-01 -4.289600417e-01 4.50 -8.985390165e-02 -2.985655996e-01 -4.091371575e-01 4.52 -8.254712527e-02 -2.812492426e-01 -3.894150625e-01 4.54 -7.601989212e-02 -2.646054465e-01 -3.699411862e-01 4.56 -7.035011870e-02 -2.486499750e-01 -3.508403642e-01 4.58 -6.500265287e-02 -2.333797032e-01 -3.322091740e-01 4.60 -5.996012138e-02 -2.190583275e-01 -3.141206330e-01 4.62 -5.520593161e-02 -2.056558995e-01 -2.966281960e-01 4.64 -5.072426422e-02 -1.928922979e-01 -2.797691502e-01 4.66 -4.650006014e-02 -1.807602344e-01 -2.635674937e-01 4.68 -4.251900279e-02 -1.692408025e-01 -2.480363677e-01 4.70 -3.876749694e-02 -1.583132639e-01 -2.331801094e-01 4.72 -3.523593956e-02 -1.479556492e-01 -2.189959798e-01 4.74 -3.193244874e-02 -1.381452190e-01 -2.054756155e-01 4.76 -2.965951038e-02 -1.288588374e-01 -1.926062421e-01 4.78 -2.755910238e-02 -1.200732722e-01 -1.803716865e-01 4.80 -2.558363319e-02 -1.117525313e-01 -1.687532181e-01 4.82 -2.372240195e-02 -1.042690244e-01 -1.577302444e-01 4.84 -2.196896076e-02 -9.734369133e-02 -1.472808854e-01 4.86 -2.031721224e-02 -9.079455475e-02 -1.373824421e-01 4.88 -1.876139165e-02 -8.460285115e-02 -1.280117783e-01 4.90 -1.729604988e-02 -7.875046179e-02 -1.191456288e-01 4.92 -1.591603716e-02 -7.321994411e-02 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