# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au3Pt # 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 2024-04-11 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.671098667e+02 nan nan 1.16 4.321705685e+02 nan nan 1.18 3.999546309e+02 nan nan 1.20 3.702151667e+02 nan nan 1.22 3.427317018e+02 nan nan 1.24 3.173087021e+02 nan nan 1.26 2.937714034e+02 nan nan 1.28 2.719618659e+02 4.094419613e+02 4.650544326e+02 1.30 2.517354643e+02 3.813542905e+02 4.338904636e+02 1.32 2.329590350e+02 3.552146230e+02 4.048691732e+02 1.34 2.155117323e+02 3.308750825e+02 3.778170994e+02 1.36 1.992862963e+02 3.081999711e+02 3.525809779e+02 1.38 1.841878124e+02 2.870614571e+02 3.290281215e+02 1.40 1.701306280e+02 2.673403107e+02 3.070426672e+02 1.42 1.570363458e+02 2.489294216e+02 2.865189019e+02 1.44 1.448341422e+02 2.317355928e+02 2.673553226e+02 1.46 1.334617562e+02 2.156774342e+02 2.494525424e+02 1.48 1.228644618e+02 2.006807536e+02 2.327150292e+02 1.50 1.129913782e+02 1.866742500e+02 2.170540215e+02 1.52 1.037916357e+02 1.735873646e+02 2.023893685e+02 1.54 9.521331467e+01 1.613504915e+02 1.886496040e+02 1.56 8.720532408e+01 1.498966177e+02 1.757705044e+02 1.58 7.972016488e+01 1.391632455e+02 1.636930876e+02 1.60 7.271572261e+01 1.290938625e+02 1.523623161e+02 1.62 6.615551441e+01 1.196386322e+02 1.417269648e+02 1.64 6.001723093e+01 1.107541946e+02 1.317399694e+02 1.66 5.432954318e+01 1.024027326e+02 1.223583645e+02 1.68 4.911241191e+01 9.455075258e+01 1.135425857e+02 1.70 4.432912640e+01 8.716801891e+01 1.052555133e+02 1.72 3.994424879e+01 8.022673345e+01 9.746175477e+01 1.74 3.592537979e+01 7.370076806e+01 9.012741207e+01 1.76 3.224295443e+01 6.756485087e+01 8.322027574e+01 1.78 2.887007148e+01 6.179619467e+01 7.671026494e+01 1.80 2.578234256e+01 5.640023072e+01 7.056996392e+01 1.82 2.295761352e+01 5.140976269e+01 6.477509208e+01 1.84 2.037549042e+01 4.680288345e+01 5.931467993e+01 1.86 1.801682063e+01 4.254801423e+01 5.421721858e+01 1.88 1.586336304e+01 3.861755348e+01 4.950297569e+01 1.90 1.389775031e+01 3.498753996e+01 4.514736175e+01 1.92 1.210365862e+01 3.163699692e+01 4.112538599e+01 1.94 1.046601884e+01 2.854711630e+01 3.741265919e+01 1.96 8.971144203e+00 2.570046807e+01 3.398556679e+01 1.98 7.606738614e+00 2.308039897e+01 3.082167264e+01 2.00 6.361815813e+00 2.067071690e+01 2.790006495e+01 2.02 5.226577137e+00 1.845565651e+01 2.520149956e+01 2.04 4.192281266e+00 1.642003589e+01 2.270836952e+01 2.06 3.251117250e+00 1.454948226e+01 2.040460476e+01 2.08 2.396076527e+00 1.283062190e+01 1.827557741e+01 2.10 1.620815329e+00 1.125117444e+01 1.630803231e+01 2.12 9.195062350e-01 9.799943833e+00 1.449002697e+01 2.14 2.866930955e-01 8.466738653e+00 1.281085379e+01 2.16 -2.828235248e-01 7.242267297e+00 1.126092084e+01 2.18 -7.940456764e-01 6.118041317e+00 9.831581382e+00 2.20 -1.251777313e+00 5.086298865e+00 8.514925966e+00 2.22 -1.660582411e+00 4.139945385e+00 7.303572103e+00 2.24 -2.024731845e+00 3.272504072e+00 6.190494099e+00 2.26 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-4.134246157e+00 -3.849229329e+00 -3.402198393e+00 2.64 -4.103926369e+00 -3.936918108e+00 -3.557404178e+00 2.66 -4.065815529e+00 -4.010154599e+00 -3.693907159e+00 2.68 -4.020584949e+00 -4.070191773e+00 -3.812719057e+00 2.70 -3.968982648e+00 -4.118139350e+00 -3.914795224e+00 2.72 -3.911812847e+00 -4.154967140e+00 -4.001051003e+00 2.74 -3.849889753e+00 -4.181518164e+00 -4.072381376e+00 2.76 -3.784016280e+00 -4.198527241e+00 -4.129682104e+00 2.78 -3.714974356e+00 -4.206645086e+00 -4.173869442e+00 2.80 -3.643499890e+00 -4.206588196e+00 -4.205894616e+00 2.82 -3.570261212e+00 -4.198897275e+00 -4.226749222e+00 2.84 -3.495841651e+00 -4.183890358e+00 -4.237459043e+00 2.86 -3.420727412e+00 -4.161885700e+00 -4.239066162e+00 2.88 -3.345302940e+00 -4.133233453e+00 -4.232748025e+00 2.90 -3.269855175e+00 -4.098323597e+00 -4.219540242e+00 2.92 -3.194586029e+00 -4.057594075e+00 -4.200129371e+00 2.94 -3.119630259e+00 -4.011536334e+00 -4.175168135e+00 2.96 -3.045074924e+00 -3.960694723e+00 -4.145251483e+00 2.98 -2.970977153e+00 -3.905648862e+00 -4.110901976e+00 3.00 -2.897382609e+00 -3.846995426e+00 -4.072566734e+00 3.02 -2.824395589e+00 -3.785337953e+00 -4.030623531e+00 3.04 -2.752149149e+00 -3.721262278e+00 -3.985391646e+00 3.06 -2.680750462e+00 -3.655312021e+00 -3.937133853e+00 3.08 -2.610287455e+00 -3.587969849e+00 -3.886074091e+00 3.10 -2.540834027e+00 -3.519646430e+00 -3.832418012e+00 3.12 -2.472453249e+00 -3.450677085e+00 -3.776359316e+00 3.14 -2.405199339e+00 -3.381324993e+00 -3.718083260e+00 3.16 -2.339118920e+00 -3.311789161e+00 -3.657768342e+00 3.18 -2.274251805e+00 -3.242215299e+00 -3.595586827e+00 3.20 -2.210631444e+00 -3.172707774e+00 -3.531704717e+00 3.22 -2.148285106e+00 -3.103341192e+00 -3.466281663e+00 3.24 -2.087233836e+00 -3.034170573e+00 -3.399471210e+00 3.26 -2.027492298e+00 -2.965239615e+00 -3.331421668e+00 3.28 -1.969068580e+00 -2.896604825e+00 -3.262277759e+00 3.30 -1.911964113e+00 -2.828376385e+00 -3.192183118e+00 3.32 -1.856173789e+00 -2.760660704e+00 -3.121283498e+00 3.34 -1.801686379e+00 -2.693550631e+00 -3.049730418e+00 3.36 -1.748485266e+00 -2.627129332e+00 -2.977684695e+00 3.38 -1.696549474e+00 -2.561472784e+00 -2.905319231e+00 3.40 -1.645854911e+00 -2.496651231e+00 -2.832841582e+00 3.42 -1.596375702e+00 -2.432729893e+00 -2.760541466e+00 3.44 -1.548085490e+00 -2.369769142e+00 -2.688714667e+00 3.46 -1.500958518e+00 -2.307824322e+00 -2.617638623e+00 3.48 -1.454970464e+00 -2.246945369e+00 -2.547566041e+00 3.50 -1.410098894e+00 -2.187176339e+00 -2.478718657e+00 3.52 -1.366323368e+00 -2.128554936e+00 -2.411282333e+00 3.54 -1.323625184e+00 -2.071112121e+00 -2.345404161e+00 3.56 -1.281986878e+00 -2.014871810e+00 -2.281191857e+00 3.58 -1.241391531e+00 -1.959850709e+00 -2.218715180e+00 3.60 -1.201821989e+00 -1.906058267e+00 -2.158008970e+00 3.62 -1.163260094e+00 -1.853496747e+00 -2.099077320e+00 3.64 -1.125685969e+00 -1.802161417e+00 -2.041898417e+00 3.66 -1.089077432e+00 -1.752040841e+00 -1.986429673e+00 3.68 -1.053409558e+00 -1.703117268e+00 -1.932612794e+00 3.70 -1.018654403e+00 -1.655367122e+00 -1.880378521e+00 3.72 -9.847808929e-01 -1.608761587e+00 -1.829650865e+00 3.74 -9.517548802e-01 -1.563267281e+00 -1.780350712e+00 3.76 -9.195393575e-01 -1.518847001e+00 -1.732398797e+00 3.78 -8.880948328e-01 -1.475460539e+00 -1.685718074e+00 3.80 -8.573798619e-01 -1.433065515e+00 -1.640235545e+00 3.82 -8.273517442e-01 -1.391618214e+00 -1.595883636e+00 3.84 -7.979673808e-01 -1.351074377e+00 -1.552601164e+00 3.86 -7.691842938e-01 -1.311389925e+00 -1.510333952e+00 3.88 -7.409617875e-01 -1.272521584e+00 -1.469035114e+00 3.90 -7.132622172e-01 -1.234427404e+00 -1.428665041e+00 3.92 -6.860522986e-01 -1.197067187e+00 -1.389191108e+00 3.94 -6.593043669e-01 -1.160402859e+00 -1.350587138e+00 3.96 -6.329974374e-01 -1.124398814e+00 -1.312832652e+00 3.98 -6.071179323e-01 -1.089022316e+00 -1.275911992e+00 4.00 -5.816598970e-01 -1.054243997e+00 -1.239813344e+00 4.02 -5.566245821e-01 -1.020038508e+00 -1.204527744e+00 4.04 -5.320193333e-01 -9.863853343e-01 -1.170048105e+00 4.06 -5.078558431e-01 -9.532697742e-01 -1.136368334e+00 4.08 -4.841479562e-01 -9.206840057e-01 -1.103482549e+00 4.10 -4.609093498e-01 -8.886281252e-01 -1.071384430e+00 4.12 -4.381514939e-01 -8.571110327e-01 -1.040066701e+00 4.14 -4.158823023e-01 -8.261508960e-01 -1.009520742e+00 4.16 -3.941057967e-01 -7.957751208e-01 -9.797363221e-01 4.18 -3.728229362e-01 -7.660195967e-01 -9.507014256e-01 4.20 -3.520335420e-01 -7.369271901e-01 -9.224021586e-01 4.22 -3.317390377e-01 -7.085455120e-01 -8.948227168e-01 4.24 -3.119455128e-01 -6.809241099e-01 -8.679453919e-01 4.26 -2.926665883e-01 -6.541113239e-01 -8.417506052e-01 4.28 -2.739254979e-01 -6.281510978e-01 -8.162169531e-01 4.30 -2.557559437e-01 -6.030800388e-01 -7.913212571e-01 4.32 -2.382014537e-01 -5.789249744e-01 -7.670386121e-01 4.34 -2.213132111e-01 -5.557011783e-01 -7.433424288e-01 4.36 -2.051465718e-01 -5.334113501e-01 -7.202044717e-01 4.38 -1.897567194e-01 -5.120453541e-01 -6.975948945e-01 4.40 -1.751940075e-01 -4.915806531e-01 -6.754822769e-01 4.42 -1.614996386e-01 -4.719833314e-01 -6.538336724e-01 4.44 -1.487021839e-01 -4.532095670e-01 -6.326146755e-01 4.46 -1.368153226e-01 -4.352074071e-01 -6.117895210e-01 4.48 -1.258369521e-01 -4.179186987e-01 -5.913212324e-01 4.50 -1.157496134e-01 -4.012810466e-01 -5.711718342e-01 4.52 -1.065220078e-01 -3.852296974e-01 -5.513026453e-01 4.54 -9.811128636e-02 -3.696992800e-01 -5.316747082e-01 4.56 -9.046576065e-02 -3.546253708e-01 -5.122492853e-01 4.58 -8.352772022e-02 -3.399458788e-01 -4.929885678e-01 4.60 -7.723610215e-02 -3.256022722e-01 -4.738565151e-01 4.62 -7.152883982e-02 -3.115406776e-01 -4.548198733e-01 4.64 -6.634480857e-02 -2.977128879e-01 -4.358493615e-01 4.66 -6.162533938e-02 -2.840773036e-01 -4.169210028e-01 4.68 -5.731529500e-02 -2.705998203e-01 -3.980175573e-01 4.70 -5.336379687e-02 -2.572546514e-01 -3.791299878e-01 4.72 -4.972531294e-02 -2.440250500e-01 -3.602588613e-01 4.74 -4.635844609e-02 -2.309038771e-01 -3.414155659e-01 4.76 -4.322618388e-02 -2.178939387e-01 -3.226232085e-01 4.78 -4.029664368e-02 -2.050080164e-01 -3.039170518e-01 4.80 -3.754274900e-02 -1.922685142e-01 -2.853443701e-01 4.82 -3.494190716e-02 -1.797066834e-01 -2.669636345e-01 4.84 -3.247569033e-02 -1.673613801e-01 -2.488429990e-01 4.86 -3.012951196e-02 -1.552774250e-01 -2.310581246e-01 4.88 -2.789229052e-02 -1.435036115e-01 -2.136894535e-01 4.90 -2.575609103e-02 -1.320904922e-01 -1.968191072e-01 4.92 -2.371573653e-02 -1.210880874e-01 -1.805276262e-01 4.94 -2.176838519e-02 -1.105436672e-01 -1.648907829e-01 4.96 -1.991304686e-02 -1.004997517e-01 -1.499766842e-01 4.98 -1.814984845e-02 -9.099244336e-02 -1.358433440e-01 5.00 -1.648019136e-02 -8.205017049e-02 -1.225368490e-01 5.02 -1.490600264e-02 -7.369288083e-02 -1.100901834e-01 5.04 -1.342916321e-02 -6.593168748e-02 -9.852272344e-02 5.06 -1.205112820e-02 -5.876893887e-02 -8.784036300e-02 5.08 -1.077262677e-02 -5.219866172e-02 -7.803619921e-02 5.10 -9.593454339e-03 -4.620730743e-02 -6.909167889e-02 5.12 -8.512361688e-03 -4.077473710e-02 -6.097809323e-02 5.14 -7.527035898e-03 -3.587535429e-02 -5.365830130e-02 5.16 -6.634160941e-03 -3.147930222e-02 -4.708856387e-02 5.18 -5.829540069e-03 -2.755367062e-02 -4.122038201e-02 5.20 -5.108259817e-03 -2.406367755e-02 -3.600226113e-02 5.22 -4.464875570e-03 -2.097406212e-02 -3.138128790e-02 5.24 -3.893600963e-03 -1.824884328e-02 -2.730451612e-02 5.26 -3.388487027e-03 -1.585269856e-02 -2.372017060e-02 5.28 -2.943581185e-03 -1.375240916e-02 -2.057902438e-02 5.30 -2.553060307e-03 -1.191652173e-02 -1.783300021e-02 5.32 -2.211335542e-03 -1.031564875e-02 -1.543807242e-02 5.34 -1.913129347e-03 -8.922667782e-03 -1.335387596e-02 5.36 -1.653527062e-03 -7.712808719e-03 -1.154348746e-02 5.38 -1.428006442e-03 -6.663653570e-03 -9.973451944e-03 5.40 -1.232449063e-03 -5.755071015e-03 -8.613702763e-03 5.42 -1.063137539e-03 -4.969104831e-03 -7.437406312e-03 5.44 -9.167421851e-04 -4.289832086e-03 -6.420757522e-03 5.46 -7.903003203e-04 -3.703203870e-03 -5.542746549e-03 5.48 -6.811908665e-04 -3.196878445e-03 -4.784912379e-03 5.50 -5.871063622e-04 -2.760054191e-03 -4.131094980e-03 5.52 -5.060240223e-04 -2.383307585e-03 -3.567194259e-03 5.54 -4.361770406e-04 -2.058439782e-03 -3.080940457e-03 5.56 -3.760269725e-04 -1.778333941e-03 -2.661685019e-03 5.58 -3.242377470e-04 -1.536824483e-03 -2.300199450e-03 5.60 -2.796516336e-04 -1.328578661e-03 -1.988502396e-03 5.62 -2.412673204e-04 -1.148990311e-03 -1.719699724e-03 5.64 -2.082201392e-04 -9.940852615e-04 -1.487843078e-03 5.66 -1.797643883e-04 -8.604376931e-04 -1.287804749e-03 5.68 -1.552576476e-04 -7.450965603e-04 -1.115167606e-03 5.70 -1.341469472e-04 -6.455211712e-04 -9.661286981e-04 5.72 -1.159566337e-04 -5.595249956e-04 -8.374151687e-04 5.74 -1.002777720e-04 -4.852268066e-04 -7.262111368e-04 5.76 -8.675891917e-05 -4.210083116e-04 -6.300942853e-04 5.78 -7.509812067e-05 -3.654774924e-04 -5.469809922e-04 5.80 -6.503598076e-05 -3.174369436e-04 -4.750789415e-04 5.82 -5.634967798e-05 -2.758565692e-04 -4.128462550e-04 5.84 -4.884780458e-05 -2.398500664e-04 -3.589562927e-04 5.86 -4.236592318e-05 -2.086546917e-04 -3.122673663e-04 5.88 -3.676274539e-05 -1.816138648e-04 -2.717966991e-04 5.90 -3.191684835e-05 -1.581622216e-04 -2.366980527e-04 5.92 -2.772385569e-05 -1.378127778e-04 -2.062425115e-04 5.94 -2.409401851e-05 -1.201459075e-04 -1.798019860e-04 5.96 -2.095014052e-05 -1.047998833e-04 -1.568350518e-04 5.98 -1.822579900e-05 -9.146275727e-05 -1.368747962e-04 6.00 -1.586381961e-05 -7.986539249e-05 -1.195183872e-04