# 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 = AgPt3 # 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 1.110502296e+03 nan nan 0.92 1.011982643e+03 nan nan 0.94 9.230862180e+02 nan nan 0.96 8.427747484e+02 nan nan 0.98 7.701363248e+02 1.116117080e+03 nan 1.00 7.043637368e+02 1.024701312e+03 1.154082953e+03 1.02 6.447456166e+02 9.415379003e+02 1.061979947e+03 1.04 5.906483714e+02 8.658070975e+02 9.779843721e+02 1.06 5.415101032e+02 7.967784593e+02 9.013062319e+02 1.08 4.968292008e+02 7.337976684e+02 8.312368892e+02 1.10 4.561621225e+02 6.762841030e+02 7.671493260e+02 1.12 4.191098934e+02 6.237153203e+02 7.084791151e+02 1.14 3.853176200e+02 5.756220828e+02 6.547222949e+02 1.16 3.544668761e+02 5.315859140e+02 6.054256092e+02 1.18 3.262728958e+02 4.912293680e+02 5.601805639e+02 1.20 3.004809890e+02 4.542119469e+02 5.186211885e+02 1.22 2.768614885e+02 4.202262736e+02 4.804160637e+02 1.24 2.552096936e+02 3.889980170e+02 4.452651221e+02 1.26 2.353419198e+02 3.602778310e+02 4.128997505e+02 1.28 2.170926430e+02 3.338406612e+02 3.830756074e+02 1.30 2.003123150e+02 3.094820059e+02 3.555703759e+02 1.32 1.848684630e+02 2.870197173e+02 3.301839637e+02 1.34 1.706407331e+02 2.662883227e+02 3.067349738e+02 1.36 1.575206175e+02 2.471376272e+02 2.850584047e+02 1.38 1.454096221e+02 2.294316858e+02 2.650036678e+02 1.40 1.342206519e+02 2.130468280e+02 2.464347784e+02 1.42 1.238743072e+02 1.978713101e+02 2.292286040e+02 1.44 1.142988974e+02 1.838047210e+02 2.132726950e+02 1.46 1.054294182e+02 1.707553245e+02 1.984647115e+02 1.48 9.720657689e+01 1.586397213e+02 1.847106145e+02 1.50 8.957807917e+01 1.473821898e+02 1.719256001e+02 1.52 8.249580864e+01 1.369139670e+02 1.600332914e+02 1.54 7.591613457e+01 1.271719876e+02 1.489632935e+02 1.56 6.979936874e+01 1.180990428e+02 1.386513032e+02 1.58 6.410944250e+01 1.096434169e+02 1.290386633e+02 1.60 5.881266228e+01 1.017584588e+02 1.200718387e+02 1.62 5.387996368e+01 9.440100492e+01 1.117013505e+02 1.64 4.928409369e+01 8.753162444e+01 1.038831741e+02 1.66 4.500008508e+01 8.111418243e+01 9.657642027e+01 1.68 4.100502973e+01 7.511566779e+01 8.974364896e+01 1.70 3.727793784e+01 6.950583666e+01 8.335050417e+01 1.72 3.379970126e+01 6.425688176e+01 7.736542298e+01 1.74 3.055266305e+01 5.934341486e+01 7.175952277e+01 1.76 2.750726317e+01 5.474201907e+01 6.650622238e+01 1.78 2.469107421e+01 5.043071675e+01 6.158056261e+01 1.80 2.207869018e+01 4.638987624e+01 5.696043181e+01 1.82 1.965674907e+01 4.260141620e+01 5.262536066e+01 1.84 1.741285523e+01 3.904844353e+01 4.855624074e+01 1.86 1.533548926e+01 3.571534822e+01 4.473542941e+01 1.88 1.341391212e+01 3.258769790e+01 4.114661602e+01 1.90 1.163806786e+01 2.965298416e+01 3.777469032e+01 1.92 9.998671276e+00 2.688698794e+01 3.460565733e+01 1.94 8.486987854e+00 2.431870334e+01 3.162655577e+01 1.96 7.094737640e+00 2.192305890e+01 2.882732863e+01 1.98 5.813979861e+00 1.968946433e+01 2.618580073e+01 2.00 4.637803527e+00 1.760825731e+01 2.373189302e+01 2.02 3.559788431e+00 1.567029109e+01 2.143827553e+01 2.04 2.573619251e+00 1.386698801e+01 1.929602587e+01 2.06 1.673353364e+00 1.219011103e+01 1.729635818e+01 2.08 8.533146084e-01 1.063196559e+01 1.543090821e+01 2.10 1.082930570e-01 9.185804452e+00 1.369182702e+01 2.12 -5.666878438e-01 7.844562609e+00 1.207172746e+01 2.14 -1.176175053e+00 6.602202940e+00 1.056370178e+01 2.16 -1.724070477e+00 5.452988207e+00 9.161239935e+00 2.18 -2.215160794e+00 4.391364170e+00 7.858139355e+00 2.20 -2.653380787e+00 3.412104446e+00 6.648653089e+00 2.22 -3.042582082e+00 2.510232434e+00 5.527353090e+00 2.24 -3.386316356e+00 1.681089824e+00 4.489104700e+00 2.26 -3.687946473e+00 9.202670116e-01 3.529058036e+00 2.28 -3.951025773e+00 2.235819671e-01 2.642604069e+00 2.30 -4.178165611e+00 -4.129647212e-01 1.825426553e+00 2.32 -4.372296188e+00 -9.931690884e-01 1.073432951e+00 2.34 -4.536154554e+00 -1.519874009e+00 3.827374786e-01 2.36 -4.671993841e+00 -1.996944760e+00 -2.503424166e-01 2.38 -4.782428955e+00 -2.427611374e+00 -8.296879432e-01 2.40 -4.868906245e+00 -2.814894713e+00 -1.358069297e+00 2.42 -4.933878778e+00 -3.161756073e+00 -1.838553486e+00 2.44 -4.979529007e+00 -3.470897506e+00 -2.274268466e+00 2.46 -5.007510704e+00 -3.744895084e+00 -2.667971568e+00 2.48 -5.019484973e+00 -3.986192428e+00 -3.022444058e+00 2.50 -5.017052521e+00 -4.197102982e+00 -3.340314164e+00 2.52 -5.001670780e+00 -4.379815765e+00 -3.623920857e+00 2.54 -4.974691818e+00 -4.536400698e+00 -3.875547316e+00 2.56 -4.937367364e+00 -4.668813596e+00 -4.097365211e+00 2.58 -4.890854088e+00 -4.778882904e+00 -4.291432800e+00 2.60 -4.836218836e+00 -4.868017454e+00 -4.459699879e+00 2.62 -4.774443770e+00 -4.937810816e+00 -4.604012385e+00 2.64 -4.706431913e+00 -4.990217066e+00 -4.726117334e+00 2.66 -4.633298776e+00 -5.026926571e+00 -4.828032759e+00 2.68 -4.555775165e+00 -5.049274781e+00 -4.910644023e+00 2.70 -4.474265310e+00 -5.058299688e+00 -4.975626511e+00 2.72 -4.389431085e+00 -5.055225941e+00 -5.024470641e+00 2.74 -4.300766297e+00 -5.041172694e+00 -5.058483899e+00 2.76 -4.208315198e+00 -5.017174533e+00 -5.078866415e+00 2.78 -4.114320037e+00 -4.985224965e+00 -5.086803901e+00 2.80 -4.019142586e+00 -4.945818446e+00 -5.083413217e+00 2.82 -3.923144105e+00 -4.899130995e+00 -5.069673310e+00 2.84 -3.827264228e+00 -4.845944672e+00 -5.046534952e+00 2.86 -3.732290757e+00 -4.786986915e+00 -5.014886904e+00 2.88 -3.637301280e+00 -4.722931602e+00 -4.975558900e+00 2.90 -3.542510354e+00 -4.654417685e+00 -4.929324571e+00 2.92 -3.448123547e+00 -4.582175849e+00 -4.876904244e+00 2.94 -3.354412965e+00 -4.506550024e+00 -4.818967737e+00 2.96 -3.261737361e+00 -4.428003519e+00 -4.756137066e+00 2.98 -3.170051936e+00 -4.346116576e+00 -4.688989079e+00 3.00 -3.079487422e+00 -4.260869983e+00 -4.618058005e+00 3.02 -2.990161898e+00 -4.174090190e+00 -4.543837928e+00 3.04 -2.902177631e+00 -4.086126393e+00 -4.466802823e+00 3.06 -2.815622461e+00 -3.997295319e+00 -4.386960101e+00 3.08 -2.730580537e+00 -3.907878375e+00 -4.305009465e+00 3.10 -2.647222789e+00 -3.818130876e+00 -4.221423328e+00 3.12 -2.565473052e+00 -3.728284403e+00 -4.136516761e+00 3.14 -2.485374529e+00 -3.638543144e+00 -4.050600027e+00 3.16 -2.406961923e+00 -3.549052519e+00 -3.963945782e+00 3.18 -2.330261535e+00 -3.459985686e+00 -3.876802928e+00 3.20 -2.255291481e+00 -3.371547874e+00 -3.789394358e+00 3.22 -2.182102577e+00 -3.283868120e+00 -3.702106003e+00 3.24 -2.110671025e+00 -3.197048409e+00 -3.614947908e+00 3.26 -2.040995990e+00 -3.112176190e+00 -3.528018919e+00 3.28 -1.973058280e+00 -3.028653339e+00 -3.441526537e+00 3.30 -1.906874498e+00 -2.946223097e+00 -3.355619093e+00 3.32 -1.842385247e+00 -2.864960141e+00 -3.270419294e+00 3.34 -1.779358237e+00 -2.784931015e+00 -3.186038739e+00 3.36 -1.717674982e+00 -2.706193046e+00 -3.102576788e+00 3.38 -1.657505643e+00 -2.628795094e+00 -3.020121646e+00 3.40 -1.599036117e+00 -2.552782957e+00 -2.938751192e+00 3.42 -1.542298472e+00 -2.478243076e+00 -2.858533762e+00 3.44 -1.487220343e+00 -2.405143398e+00 -2.779529031e+00 3.46 -1.433753078e+00 -2.333506909e+00 -2.701788718e+00 3.48 -1.381861449e+00 -2.263350175e+00 -2.625356841e+00 3.50 -1.331512080e+00 -2.194684529e+00 -2.550270832e+00 3.52 -1.282674316e+00 -2.127519643e+00 -2.476562043e+00 3.54 -1.235327857e+00 -2.061865122e+00 -2.404255461e+00 3.56 -1.189425557e+00 -1.997707405e+00 -2.333371891e+00 3.58 -1.144908744e+00 -1.935059745e+00 -2.263926007e+00 3.60 -1.101759012e+00 -1.873898966e+00 -2.195927592e+00 3.62 -1.059969834e+00 -1.814057132e+00 -2.129386481e+00 3.64 -1.019534438e+00 -1.755391264e+00 -2.064311069e+00 3.66 -9.802986030e-01 -1.697966419e+00 -2.000686546e+00 3.68 -9.420753286e-01 -1.641948945e+00 -1.938527806e+00 3.70 -9.049854509e-01 -1.587437453e+00 -1.877818302e+00 3.72 -8.691687812e-01 -1.534408750e+00 -1.818381109e+00 3.74 -8.347219849e-01 -1.482812841e+00 -1.760058657e+00 3.76 -8.017066189e-01 -1.432613634e+00 -1.703407520e+00 3.78 -7.701599449e-01 -1.383785456e+00 -1.648351649e+00 3.80 -7.402903869e-01 -1.336307621e+00 -1.594740516e+00 3.82 -7.119688130e-01 -1.290155238e+00 -1.542539639e+00 3.84 -6.847174413e-01 -1.245308487e+00 -1.491703697e+00 3.86 -6.581753699e-01 -1.201727585e+00 -1.442199508e+00 3.88 -6.320888091e-01 -1.159383568e+00 -1.394003664e+00 3.90 -6.062879630e-01 -1.118245938e+00 -1.347099396e+00 3.92 -5.806681039e-01 -1.078306237e+00 -1.301464008e+00 3.94 -5.551741469e-01 -1.039554033e+00 -1.257118230e+00 3.96 -5.297881558e-01 -1.001877830e+00 -1.214004888e+00 3.98 -5.045192853e-01 -9.652567625e-01 -1.172075314e+00 4.00 -4.793956522e-01 -9.296008403e-01 -1.131307884e+00 4.02 -4.543574702e-01 -8.949612084e-01 -1.091690911e+00 4.04 -4.294882523e-01 -8.614468571e-01 -1.053221494e+00 4.06 -4.050222359e-01 -8.291349993e-01 -1.015867443e+00 4.08 -3.811380076e-01 -7.980794037e-01 -9.794745500e-01 4.10 -3.579681961e-01 -7.684048495e-01 -9.440430542e-01 4.12 -3.356080653e-01 -7.400367900e-01 -9.095535320e-01 4.14 -3.141226610e-01 -7.129270488e-01 -8.761147959e-01 4.16 -2.935527449e-01 -6.868888581e-01 -8.438120320e-01 4.18 -2.739197079e-01 -6.615973730e-01 -8.127039622e-01 4.20 -2.552296276e-01 -6.368127641e-01 -7.828308606e-01 4.22 -2.374766086e-01 -6.123658247e-01 -7.543475176e-01 4.24 -2.206455236e-01 -5.881434119e-01 -7.271478086e-01 4.26 -2.047142543e-01 -5.640763723e-01 -7.011028213e-01 4.28 -1.896555156e-01 -5.401295725e-01 -6.759217855e-01 4.30 -1.754379406e-01 -5.162937107e-01 -6.513379585e-01 4.32 -1.619938218e-01 -4.925570494e-01 -6.271585475e-01 4.34 -1.505255268e-01 -4.689097236e-01 -6.032500123e-01 4.36 -1.403132819e-01 -4.454456812e-01 -5.795258008e-01 4.38 -1.306883335e-01 -4.221940901e-01 -5.559361538e-01 4.40 -1.216167282e-01 -3.992940675e-01 -5.324596687e-01 4.42 -1.130702365e-01 -3.768954326e-01 -5.090963583e-01 4.44 -1.050213610e-01 -3.551119488e-01 -4.858567034e-01 4.46 -9.744347096e-02 -3.340276194e-01 -4.626903608e-01 4.48 -9.031089689e-02 -3.137019964e-01 -4.396804662e-01 4.50 -8.359899415e-02 -2.941746493e-01 -4.169181400e-01 4.52 -7.728417930e-02 -2.754689169e-01 -3.945553903e-01 4.54 -7.134394709e-02 -2.575950531e-01 -3.727229129e-01 4.56 -6.575687270e-02 -2.405525553e-01 -3.515194978e-01 4.58 -6.050259939e-02 -2.243076671e-01 -3.310175518e-01 4.60 -5.556181807e-02 -2.095667938e-01 -3.112677736e-01 4.62 -5.091623953e-02 -1.962372370e-01 -2.923030983e-01 4.64 -4.654856163e-02 -1.835669680e-01 -2.741420182e-01 4.66 -4.244243294e-02 -1.715573782e-01 -2.567913734e-01 4.68 -3.858241383e-02 -1.601836201e-01 -2.402486870e-01 4.70 -3.495393619e-02 -1.494199316e-01 -2.245041164e-01 4.72 -3.154634237e-02 -1.392401513e-01 -2.095420784e-01 4.74 -2.836571854e-02 -1.296180508e-01 -1.953425980e-01 4.76 -2.615736876e-02 -1.205275986e-01 -1.818824233e-01 4.78 -2.411495197e-02 -1.119431676e-01 -1.691359408e-01 4.80 -2.219368678e-02 -1.038370265e-01 -1.570759285e-01 4.82 -2.038327562e-02 -9.626651132e-02 -1.456741628e-01 4.84 -1.867742808e-02 -8.915433734e-02 -1.349019138e-01 4.86 -1.707020109e-02 -8.244458892e-02 -1.247303398e-01 4.88 -1.555598079e-02 -7.611594821e-02 -1.151308005e-01 4.90 -1.412946525e-02 -7.014797607e-02 -1.060751017e-01 4.92 -1.278564792e-02 -6.452112241e-02 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