# 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 = AlPd3 # 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 2.826401812e+02 nan nan 1.16 2.606231008e+02 nan nan 1.18 2.403333540e+02 nan nan 1.20 2.216220621e+02 nan nan 1.22 2.043557644e+02 nan nan 1.24 1.884133074e+02 nan nan 1.26 1.736825538e+02 nan nan 1.28 1.600601313e+02 2.461254680e+02 2.815127824e+02 1.30 1.474530174e+02 2.284579627e+02 2.618248609e+02 1.32 1.357782794e+02 2.120483843e+02 2.435200642e+02 1.34 1.249609434e+02 1.967983381e+02 2.264902564e+02 1.36 1.149325399e+02 1.826168691e+02 2.106378362e+02 1.38 1.056310087e+02 1.694197954e+02 1.958747289e+02 1.40 9.700038635e+01 1.571305205e+02 1.821215161e+02 1.42 8.898939501e+01 1.456805178e+02 1.693055445e+02 1.44 8.154991418e+01 1.350087733e+02 1.573586868e+02 1.46 7.463651150e+01 1.250606865e+02 1.462164059e+02 1.48 6.820699242e+01 1.157865579e+02 1.358182294e+02 1.50 6.222305092e+01 1.071396876e+02 1.261085219e+02 1.52 5.666557572e+01 9.907493507e+01 1.170366617e+02 1.54 5.154846893e+01 9.154856340e+01 1.085564034e+02 1.56 4.684124621e+01 8.451909174e+01 1.006249380e+02 1.58 4.251179729e+01 7.794826064e+01 9.320240222e+01 1.60 3.852978480e+01 7.180150762e+01 8.625195893e+01 1.62 3.486739275e+01 6.604788581e+01 7.973997449e+01 1.64 3.149921888e+01 6.065970568e+01 7.363596164e+01 1.66 2.840217460e+01 5.563255916e+01 6.791232693e+01 1.68 2.555527658e+01 5.097488998e+01 6.254398142e+01 1.70 2.293933126e+01 4.666333387e+01 5.751229555e+01 1.72 2.053659043e+01 4.267338252e+01 5.283348854e+01 1.74 1.833046421e+01 3.898076456e+01 4.849168388e+01 1.76 1.630534972e+01 3.556240772e+01 4.446331032e+01 1.78 1.444659682e+01 3.239675747e+01 4.072539577e+01 1.80 1.274058738e+01 2.946409616e+01 3.725693954e+01 1.82 1.117484732e+01 2.674668366e+01 3.403878089e+01 1.84 9.738084822e+00 2.422868577e+01 3.105334065e+01 1.86 8.420104582e+00 2.189594664e+01 2.828438466e+01 1.88 7.211645104e+00 1.973569534e+01 2.571686654e+01 1.90 6.104231522e+00 1.773626821e+01 2.333680099e+01 1.92 5.090095568e+00 1.588688998e+01 2.113111661e+01 1.94 4.162146225e+00 1.417751594e+01 1.908751294e+01 1.96 3.313944951e+00 1.259871800e+01 1.719437842e+01 1.98 2.539655343e+00 1.114159884e+01 1.544078233e+01 2.00 1.833964436e+00 9.797727389e+00 1.381650700e+01 2.02 1.191988815e+00 8.559095872e+00 1.231208105e+01 2.04 6.091832923e-01 7.418101224e+00 1.091879304e+01 2.06 8.126816922e-02 6.367547748e+00 9.628680285e+00 2.08 -3.958166640e-01 5.400661554e+00 8.434493404e+00 2.10 -8.259341887e-01 4.511106244e+00 7.329638924e+00 2.12 -1.212761006e+00 3.692993528e+00 6.308105480e+00 2.14 -1.559796083e+00 2.940886221e+00 5.364384052e+00 2.16 -1.870366777e+00 2.249792994e+00 4.493393981e+00 2.18 -2.147622620e+00 1.615155718e+00 3.690420586e+00 2.20 -2.394509343e+00 1.032831067e+00 2.951061218e+00 2.22 -2.613728444e+00 4.990675168e-01 2.271174174e+00 2.24 -2.807700389e+00 1.047788322e-02 1.646831861e+00 2.26 -2.978551161e+00 -4.359927935e-01 1.074287482e+00 2.28 -3.128130643e+00 -8.431036911e-01 5.499626927e-01 2.30 -3.258056432e+00 -1.213358129e+00 7.045316441e-02 2.32 -3.369768380e+00 -1.549045917e+00 -3.674601757e-01 2.34 -3.464579616e+00 -1.852286373e+00 -7.668060882e-01 2.36 -3.543715165e+00 -2.125069617e+00 -1.130428072e+00 2.38 -3.608334816e+00 -2.369293196e+00 -1.460995036e+00 2.40 -3.659549009e+00 -2.586792037e+00 -1.761009841e+00 2.42 -3.699280037e+00 -2.779361693e+00 -2.032810946e+00 2.44 -3.728656068e+00 -2.948776193e+00 -2.278568099e+00 2.46 -3.748436509e+00 -3.096800633e+00 -2.500277269e+00 2.48 -3.759626270e+00 -3.225195152e+00 -2.699759669e+00 2.50 -3.762381712e+00 -3.335704867e+00 -2.878666123e+00 2.52 -3.756986772e+00 -3.430033550e+00 -3.038484702e+00 2.54 -3.743868216e+00 -3.509806832e+00 -3.180549365e+00 2.56 -3.723570628e+00 -3.576537178e+00 -3.306049197e+00 2.58 -3.696796878e+00 -3.631601850e+00 -3.416039840e+00 2.60 -3.664341479e+00 -3.676236568e+00 -3.511458976e+00 2.62 -3.626940968e+00 -3.711903099e+00 -3.593146754e+00 2.64 -3.585232137e+00 -3.740145340e+00 -3.661870829e+00 2.66 -3.539739227e+00 -3.761560935e+00 -3.718354659e+00 2.68 -3.490893329e+00 -3.777005724e+00 -3.763307047e+00 2.70 -3.439062187e+00 -3.786712149e+00 -3.797529351e+00 2.72 -3.384580998e+00 -3.790628281e+00 -3.822650095e+00 2.74 -3.327777210e+00 -3.788736155e+00 -3.839611422e+00 2.76 -3.268985298e+00 -3.781048279e+00 -3.849352095e+00 2.78 -3.208550459e+00 -3.767617123e+00 -3.852077449e+00 2.80 -3.146822998e+00 -3.748591819e+00 -3.848080830e+00 2.82 -3.084147416e+00 -3.724203811e+00 -3.837747507e+00 2.84 -3.020850956e+00 -3.694744710e+00 -3.821524836e+00 2.86 -2.957234972e+00 -3.660556646e+00 -3.799899383e+00 2.88 -2.893569978e+00 -3.622024872e+00 -3.773413021e+00 2.90 -2.830093172e+00 -3.579573852e+00 -3.742705835e+00 2.92 -2.767006736e+00 -3.533659862e+00 -3.708395717e+00 2.94 -2.704476260e+00 -3.484756502e+00 -3.671033554e+00 2.96 -2.642629699e+00 -3.433335880e+00 -3.631085903e+00 2.98 -2.581558205e+00 -3.379849854e+00 -3.588931657e+00 3.00 -2.521319405e+00 -3.324715700e+00 -3.544866625e+00 3.02 -2.461943039e+00 -3.268308765e+00 -3.499115176e+00 3.04 -2.403438079e+00 -3.210961743e+00 -3.451845741e+00 3.06 -2.345800174e+00 -3.152967937e+00 -3.403186928e+00 3.08 -2.289018458e+00 -3.094585038e+00 -3.353241700e+00 3.10 -2.233081089e+00 -3.036037252e+00 -3.302098330e+00 3.12 -2.177979240e+00 -2.977515255e+00 -3.249837949e+00 3.14 -2.123709511e+00 -2.919175243e+00 -3.196539222e+00 3.16 -2.070274872e+00 -2.861138636e+00 -3.142280962e+00 3.18 -2.017684372e+00 -2.803493831e+00 -3.087143559e+00 3.20 -1.965951874e+00 -2.746300148e+00 -3.031209910e+00 3.22 -1.915094137e+00 -2.689593499e+00 -2.974566402e+00 3.24 -1.865128591e+00 -2.633392818e+00 -2.917304183e+00 3.26 -1.816071104e+00 -2.577706355e+00 -2.859520828e+00 3.28 -1.767934005e+00 -2.522537193e+00 -2.801322164e+00 3.30 -1.720724564e+00 -2.467887639e+00 -2.742823910e+00 3.32 -1.674444027e+00 -2.413762415e+00 -2.684152560e+00 3.34 -1.629087260e+00 -2.360170682e+00 -2.625445008e+00 3.36 -1.584642950e+00 -2.307127059e+00 -2.566846512e+00 3.38 -1.541094291e+00 -2.254651789e+00 -2.508507008e+00 3.40 -1.498420015e+00 -2.202770242e+00 -2.450576192e+00 3.42 -1.456595608e+00 -2.151511935e+00 -2.393198210e+00 3.44 -1.415594609e+00 -2.100909228e+00 -2.336506928e+00 3.46 -1.375389702e+00 -2.050995881e+00 -2.280622574e+00 3.48 -1.335953681e+00 -2.001805563e+00 -2.225650066e+00 3.50 -1.297260069e+00 -1.953370434e+00 -2.171678792e+00 3.52 -1.259283425e+00 -1.905719867e+00 -2.118783242e+00 3.54 -1.221999360e+00 -1.858879335e+00 -2.067023640e+00 3.56 -1.185384321e+00 -1.812869499e+00 -2.016446251e+00 3.58 -1.149415230e+00 -1.767705493e+00 -1.967083102e+00 3.60 -1.114069107e+00 -1.723396400e+00 -1.918951404e+00 3.62 -1.079322780e+00 -1.679944927e+00 -1.872053126e+00 3.64 -1.045152814e+00 -1.637347253e+00 -1.826375110e+00 3.66 -1.011535752e+00 -1.595593069e+00 -1.781889990e+00 3.68 -9.784487556e-01 -1.554665803e+00 -1.738557922e+00 3.70 -9.458706802e-01 -1.514543031e+00 -1.696328965e+00 3.72 -9.137835877e-01 -1.475197076e+00 -1.655145848e+00 3.74 -8.821746107e-01 -1.436595775e+00 -1.614946872e+00 3.76 -8.510380223e-01 -1.398703411e+00 -1.575668716e+00 3.78 -8.203772695e-01 -1.361481746e+00 -1.537249001e+00 3.80 -7.902066511e-01 -1.324891135e+00 -1.499628489e+00 3.82 -7.605522723e-01 -1.288891655e+00 -1.462752884e+00 3.84 -7.314519099e-01 -1.253444207e+00 -1.426574167e+00 3.86 -7.029535138e-01 -1.218511555e+00 -1.391051475e+00 3.88 -6.751122406e-01 -1.184059284e+00 -1.356151517e+00 3.90 -6.479861704e-01 -1.150056677e+00 -1.321848562e+00 3.92 -6.216311210e-01 -1.116477529e+00 -1.288124037e+00 3.94 -5.960952247e-01 -1.083300948e+00 -1.254965847e+00 3.96 -5.714139736e-01 -1.050512101e+00 -1.222367404e+00 3.98 -5.476064902e-01 -1.018102982e+00 -1.190326576e+00 4.00 -5.246734697e-01 -9.860731095e-01 -1.158844544e+00 4.02 -5.025970033e-01 -9.544300967e-01 -1.127924678e+00 4.04 -4.813421658e-01 -9.231899724e-01 -1.097571480e+00 4.06 -4.608600037e-01 -8.923771195e-01 -1.067789643e+00 4.08 -4.410914352e-01 -8.620236934e-01 -1.038583242e+00 4.10 -4.219715452e-01 -8.321684284e-01 -1.009955069e+00 4.12 -4.034338265e-01 -8.028548838e-01 -9.819061185e-01 4.14 -3.854140233e-01 -7.741290886e-01 -9.544352047e-01 4.16 -3.678533464e-01 -7.460369966e-01 -9.275386960e-01 4.18 -3.507009306e-01 -7.186218822e-01 -9.012103526e-01 4.20 -3.339154786e-01 -6.919220436e-01 -8.754412434e-01 4.22 -3.174661071e-01 -6.659690460e-01 -8.502197242e-01 4.24 -3.013324489e-01 -6.407866389e-01 -8.255314628e-01 4.26 -2.855041385e-01 -6.163903392e-01 -8.013594960e-01 4.28 -2.699798338e-01 -5.927875478e-01 -7.776843102e-01 4.30 -2.547659711e-01 -5.699779966e-01 -7.544839405e-01 4.32 -2.398754472e-01 -5.479543091e-01 -7.317340861e-01 4.34 -2.253263912e-01 -5.267025156e-01 -7.094082456e-01 4.36 -2.111411148e-01 -5.062024470e-01 -6.874778769e-01 4.38 -1.973452698e-01 -4.864280252e-01 -6.659125941e-01 4.40 -1.839670632e-01 -4.673475314e-01 -6.446804114e-01 4.42 -1.710364840e-01 -4.489239647e-01 -6.237480532e-01 4.44 -1.585843417e-01 -4.311155887e-01 -6.030813461e-01 4.46 -1.466410351e-01 -4.138767285e-01 -5.826457129e-01 4.48 -1.352350544e-01 -3.971588291e-01 -5.624067877e-01 4.50 -1.243913165e-01 -3.809117453e-01 -5.423311666e-01 4.52 -1.141295394e-01 -3.650852006e-01 -5.223872934e-01 4.54 -1.044628579e-01 -3.496303414e-01 -5.025465450e-01 4.56 -9.539661352e-02 -3.345013101e-01 -4.827843353e-01 4.58 -8.692839157e-02 -3.196567643e-01 -4.630814300e-01 4.60 -7.904838202e-02 -3.050612794e-01 -4.434252407e-01 4.62 -7.173973518e-02 -2.906865686e-01 -4.238110885e-01 4.64 -6.497989108e-02 -2.765124591e-01 -4.042433177e-01 4.66 -5.874214379e-02 -2.625275582e-01 -3.847361374e-01 4.68 -5.299726035e-02 -2.487295483e-01 -3.653140631e-01 4.70 -4.771498239e-02 -2.351250560e-01 -3.460118410e-01 4.72 -4.286528228e-02 -2.217290664e-01 -3.268737755e-01 4.74 -3.841931792e-02 -2.085638862e-01 -3.079524347e-01 4.76 -3.435002694e-02 -1.956577065e-01 -2.893067808e-01 4.78 -3.063240200e-02 -1.830428629e-01 -2.709998525e-01 4.80 -2.724347603e-02 -1.707539297e-01 -2.530961936e-01 4.82 -2.416209531e-02 -1.588258479e-01 -2.356592654e-01 4.84 -2.136858906e-02 -1.472921629e-01 -2.187490847e-01 4.86 -1.884440038e-02 -1.361836339e-01 -2.024202923e-01 4.88 -1.657156318e-02 -1.255272076e-01 -1.867207825e-01 4.90 -1.453270844e-02 -1.153454159e-01 -1.716909314e-01 4.92 -1.271107415e-02 -1.056561484e-01 -1.573633679e-01 4.94 -1.109007773e-02 -9.647272014e-02 -1.437631577e-01 4.96 -9.653354943e-03 -8.780410794e-02 -1.309082441e-01 4.98 -8.384860143e-03 -7.965526005e-02 -1.188099647e-01 5.00 -7.269001379e-03 -7.202737411e-02 -1.074735280e-01 5.02 -6.290786810e-03 -6.491810557e-02 -9.689836960e-02 5.04 -5.435962874e-03 -5.832148773e-02 -8.707839999e-02 5.06 -4.691130336e-03 -5.222827812e-02 -7.800216525e-02 5.08 -4.043830219e-03 -4.662638391e-02 -6.965298049e-02 5.10 -3.482596752e-03 -4.150041454e-02 -6.200888846e-02 5.12 -2.996978355e-03 -3.683191036e-02 -5.504353083e-02 5.14 -2.577530321e-03 -3.259966758e-02 -4.872642652e-02 5.16 -2.215784309e-03 -2.878017132e-02 -4.302337031e-02 5.18 -1.904200164e-03 -2.534809667e-02 -3.789724713e-02 5.20 -1.636105460e-03 -2.227687256e-02 -3.330890151e-02 5.22 -1.405627528e-03 -1.953923703e-02 -2.921803262e-02 5.24 -1.207621970e-03 -1.710778257e-02 -2.558401721e-02 5.26 -1.037600769e-03 -1.495546003e-02 -2.236668200e-02 5.28 -8.916623384e-04 -1.305594331e-02 -1.952696944e-02 5.30 -7.664251382e-04 -1.138397620e-02 -1.702721997e-02 5.32 -6.589658799e-04 -9.915993140e-03 -1.483213006e-02 5.34 -5.667629026e-04 -8.629972687e-03 -1.290891790e-02 5.36 -4.876449366e-04 -7.505544960e-03 -1.122722091e-02 5.38 -4.197452209e-04 -6.524052479e-03 -9.759202806e-03 5.40 -3.614607627e-04 -5.668551943e-03 -8.479567426e-03 5.42 -3.114164222e-04 -4.923770756e-03 -7.365501373e-03 5.44 -2.684334356e-04 -4.276030800e-03 -6.396565298e-03 5.46 -2.315019660e-04 -3.713150184e-03 -5.554550534e-03 5.48 -1.997572624e-04 -3.224331778e-03 -4.823314828e-03 5.50 -1.724590259e-04 -2.800045493e-03 -4.188607912e-03 5.52 -1.489736022e-04 -2.431909559e-03 -3.637895048e-03 5.54 -1.287586484e-04 -2.112574644e-03 -3.160181384e-03 5.56 -1.113499579e-04 -1.835613436e-03 -2.745859952e-03 5.58 -9.635015623e-05 -1.595417353e-03 -2.386537880e-03 5.60 -8.341901583e-05 -1.387101339e-03 -2.074907755e-03 5.62 -7.226516535e-05 -1.206417135e-03 -1.804614521e-03 5.64 -6.263899950e-05 -1.049675015e-03 -1.570138507e-03 5.66 -5.432661869e-05 -9.136737271e-04 -1.366690691e-03 5.68 -4.714465130e-05 -7.956381752e-04 -1.190119513e-03 5.70 -4.093583141e-05 -6.931642941e-04 -1.036828449e-03 5.72 -3.556522258e-05 -6.041705051e-04 -9.037033985e-04 5.74 -3.091699334e-05 -5.268551284e-04 -7.880489881e-04 5.76 -2.689166375e-05 -4.596591395e-04 -6.875328632e-04 5.78 -2.340375402e-05 -4.012336864e-04 -6.001370951e-04 5.80 -2.037977628e-05 -3.504118200e-04 -5.241158926e-04 5.82 -1.775651866e-05 -3.061839385e-04 -4.579588659e-04 5.84 -1.547957910e-05 -2.676764880e-04 -4.003591622e-04 5.86 -1.350211190e-05 -2.341335116e-04 -3.501858628e-04 5.88 -1.178375586e-05 -2.049006823e-04 -3.064600941e-04 5.90 -1.028971728e-05 -1.794114951e-04 -2.683343706e-04 5.92 -8.989985111e-06 -1.571753355e-04 -2.350747438e-04 5.94 -7.858659001e-06 -1.377671724e-04 -2.060453819e-04 5.96 -6.873373582e-06 -1.208186593e-04 -1.806952555e-04 5.98 -6.014805084e-06 -1.060104508e-04 -1.585466437e-04 6.00 -5.266248260e-06 -9.306557177e-05 -1.391852119e-04