# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Ko-W-S-Hur-J-Hwang-J-Y-Chun-Y-B--Cu-Ni-Ti # implementation = 2024--Ko-W-S--Cu-Ni-Ti--LAMMPS--ipr1 # composition = Cu3Ni # 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 2026-08-31 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 3.491839911e+02 nan nan 0.92 3.228250372e+02 nan nan 0.94 2.983260710e+02 nan nan 0.96 2.755612304e+02 nan nan 0.98 2.544129308e+02 3.508262940e+02 nan 1.00 2.347713295e+02 3.261540019e+02 nan 1.02 2.165338257e+02 3.031105430e+02 3.466786280e+02 1.04 1.996045911e+02 2.815922250e+02 3.227991314e+02 1.06 1.838941315e+02 2.615018044e+02 3.004624969e+02 1.08 1.693188765e+02 2.427480920e+02 2.795727898e+02 1.10 1.558007950e+02 2.252455812e+02 2.600398742e+02 1.12 1.432670360e+02 2.089140994e+02 2.417790705e+02 1.14 1.316495920e+02 1.936784809e+02 2.247108336e+02 1.16 1.208849844e+02 1.794682585e+02 2.087604483e+02 1.18 1.109139690e+02 1.662173749e+02 1.938577435e+02 1.20 1.016812605e+02 1.538639112e+02 1.799368223e+02 1.22 9.313527450e+01 1.423498317e+02 1.669358079e+02 1.24 8.522788637e+01 1.316207450e+02 1.547966041e+02 1.26 7.791420562e+01 1.216256787e+02 1.434646704e+02 1.28 7.115236465e+01 1.123168687e+02 1.328888089e+02 1.30 6.490332118e+01 1.036495607e+02 1.230209650e+02 1.32 5.913067340e+01 9.558182463e+01 1.138160393e+02 1.34 5.380048697e+01 8.807437953e+01 1.052317096e+02 1.36 4.888113328e+01 8.109042992e+01 9.722826483e+01 1.38 4.434313797e+01 7.459551162e+01 8.976844789e+01 1.40 4.015903929e+01 6.855734744e+01 8.281730760e+01 1.42 3.630325562e+01 6.294571151e+01 7.634206000e+01 1.44 3.275196139e+01 5.773230193e+01 7.031195719e+01 1.46 2.948297119e+01 5.289062132e+01 6.469816437e+01 1.48 2.647563114e+01 4.839586468e+01 5.947364403e+01 1.50 2.371071747e+01 4.422481400e+01 5.461304681e+01 1.52 2.117034147e+01 4.035573958e+01 5.009260921e+01 1.54 1.883786071e+01 3.676830723e+01 4.589005705e+01 1.56 1.669779591e+01 3.344349117e+01 4.198451477e+01 1.58 1.473575324e+01 3.036349246e+01 3.835642030e+01 1.60 1.293835164e+01 2.751166219e+01 3.498744476e+01 1.62 1.129315481e+01 2.487242955e+01 3.186041706e+01 1.64 9.788607664e+00 2.243123437e+01 2.895925315e+01 1.66 8.413976878e+00 2.017446363e+01 2.626888920e+01 1.68 7.159295330e+00 1.808939202e+01 2.377521908e+01 1.70 6.015310123e+00 1.616412611e+01 2.146503547e+01 1.72 4.973434035e+00 1.438755193e+01 1.932597440e+01 1.74 4.025700112e+00 1.274928586e+01 1.734646338e+01 1.76 3.164719254e+00 1.123962848e+01 1.551567242e+01 1.78 2.383640553e+00 9.849521218e+00 1.382346808e+01 1.80 1.676114278e+00 8.570505815e+00 1.226037039e+01 1.82 1.036257250e+00 7.394686158e+00 1.081751218e+01 1.84 4.586205291e-01 6.314692531e+00 9.486601056e+00 1.86 -6.184076424e-02 5.323648095e+00 8.259883566e+00 1.88 -5.297956460e-01 4.415137363e+00 7.130111553e+00 1.90 -9.495635723e-01 3.583176713e+00 6.090510601e+00 1.92 -1.325139008e+00 2.822186687e+00 5.134750353e+00 1.94 -1.660214345e+00 2.126965989e+00 4.256916617e+00 1.96 -1.958201296e+00 1.492667156e+00 3.451485244e+00 1.98 -2.222250838e+00 9.147736858e-01 2.713297524e+00 2.00 -2.455271837e+00 3.890786072e-01 2.037537105e+00 2.02 -2.659948387e+00 -8.833558889e-02 1.419708370e+00 2.04 -2.838755998e+00 -5.211158105e-01 8.556160578e-01 2.06 -2.993976675e+00 -9.126560142e-01 3.413461906e-01 2.08 -3.127712966e+00 -1.266113749e+00 -1.267518315e-01 2.10 -3.241901056e+00 -1.584425693e+00 -5.520820782e-01 2.12 -3.338322960e+00 -1.870322177e+00 -9.378178461e-01 2.14 -3.418617877e+00 -2.126340812e+00 -1.286916471e+00 2.16 -3.484292756e+00 -2.354839267e+00 -1.602133242e+00 2.18 -3.536732133e+00 -2.558007210e+00 -1.886034410e+00 2.20 -3.577207282e+00 -2.737877525e+00 -2.141009429e+00 2.22 -3.606884728e+00 -2.896336801e+00 -2.369282437e+00 2.24 -3.626834152e+00 -3.035135145e+00 -2.572922982e+00 2.26 -3.638035760e+00 -3.155895395e+00 -2.753856137e+00 2.28 -3.641387106e+00 -3.260121721e+00 -2.913871946e+00 2.30 -3.637709449e+00 -3.349207683e+00 -3.054634281e+00 2.32 -3.627753645e+00 -3.424443777e+00 -3.177689170e+00 2.34 -3.612205622e+00 -3.487024487e+00 -3.284472571e+00 2.36 -3.591691458e+00 -3.538054883e+00 -3.376317674e+00 2.38 -3.566782092e+00 -3.578556797e+00 -3.454461748e+00 2.40 -3.537997696e+00 -3.609474592e+00 -3.520052535e+00 2.42 -3.505811716e+00 -3.631680556e+00 -3.574154255e+00 2.44 -3.470654632e+00 -3.645979950e+00 -3.617753234e+00 2.46 -3.432922465e+00 -3.653115711e+00 -3.651763150e+00 2.48 -3.393329742e+00 -3.653772861e+00 -3.677029973e+00 2.50 -3.352606782e+00 -3.648582619e+00 -3.694336570e+00 2.52 -3.309103271e+00 -3.638126233e+00 -3.704407016e+00 2.54 -3.264250737e+00 -3.622938572e+00 -3.707910644e+00 2.56 -3.218286258e+00 -3.603511464e+00 -3.705465807e+00 2.58 -3.171423438e+00 -3.580339959e+00 -3.697643419e+00 2.60 -3.123854421e+00 -3.554210929e+00 -3.684970259e+00 2.62 -3.075751735e+00 -3.524926760e+00 -3.667932053e+00 2.64 -3.027559973e+00 -3.492691012e+00 -3.646976367e+00 2.66 -2.981946384e+00 -3.458132221e+00 -3.622515300e+00 2.68 -2.935483577e+00 -3.421542563e+00 -3.594928003e+00 2.70 -2.886707575e+00 -3.383189054e+00 -3.564563036e+00 2.72 -2.838032382e+00 -3.343315459e+00 -3.531740563e+00 2.74 -2.789543550e+00 -3.302144060e+00 -3.496754404e+00 2.76 -2.741316546e+00 -3.259877309e+00 -3.459873947e+00 2.78 -2.693417703e+00 -3.216699360e+00 -3.421345941e+00 2.80 -2.645905090e+00 -3.172777493e+00 -3.381396151e+00 2.82 -2.598829309e+00 -3.128263443e+00 -3.340230924e+00 2.84 -2.552277256e+00 -3.083294624e+00 -3.298048774e+00 2.86 -2.508715026e+00 -3.037995278e+00 -3.255600755e+00 2.88 -2.473907890e+00 -2.992477532e+00 -3.214443011e+00 2.90 -2.431032464e+00 -2.946842381e+00 -3.170689002e+00 2.92 -2.386369078e+00 -2.901180605e+00 -3.125935642e+00 2.94 -2.342330672e+00 -2.855573607e+00 -3.080874341e+00 2.96 -2.298932900e+00 -2.810094202e+00 -3.035610561e+00 2.98 -2.256188299e+00 -2.764807340e+00 -2.990239505e+00 3.00 -2.214106636e+00 -2.719770777e+00 -2.944846936e+00 3.02 -2.172695226e+00 -2.675444582e+00 -2.899509933e+00 3.04 -2.131959219e+00 -2.636953977e+00 -2.854297594e+00 3.06 -2.091901860e+00 -2.605906764e+00 -2.809271683e+00 3.08 -2.052524725e+00 -2.562571783e+00 -2.764487242e+00 3.10 -2.013827931e+00 -2.519441134e+00 -2.719993146e+00 3.12 -1.975810332e+00 -2.476791236e+00 -2.675832625e+00 3.14 -1.938469682e+00 -2.434643490e+00 -2.632043748e+00 3.16 -1.901802798e+00 -2.393015983e+00 -2.588659860e+00 3.18 -1.865805692e+00 -2.351923816e+00 -2.545710005e+00 3.20 -1.830473695e+00 -2.311379399e+00 -2.503219299e+00 3.22 -1.795801567e+00 -2.271392723e+00 -2.461209285e+00 3.24 -1.761783594e+00 -2.231971608e+00 -2.419698260e+00 3.26 -1.728413672e+00 -2.193121936e+00 -2.378701573e+00 3.28 -1.695685384e+00 -2.154847856e+00 -2.338231900e+00 3.30 -1.663592067e+00 -2.117151978e+00 -2.298299504e+00 3.32 -1.632126867e+00 -2.080035544e+00 -2.258912465e+00 3.34 -1.601282787e+00 -2.043498592e+00 -2.220076899e+00 3.36 -1.571052736e+00 -2.007540095e+00 -2.181797157e+00 3.38 -1.541429557e+00 -1.972158097e+00 -2.144076003e+00 3.40 -1.512406064e+00 -1.937349830e+00 -2.106914788e+00 3.42 -1.483975060e+00 -1.903111823e+00 -2.070313597e+00 3.44 -1.456129362e+00 -1.869439999e+00 -2.034271394e+00 3.46 -1.428861814e+00 -1.836329766e+00 -1.998786149e+00 3.48 -1.402165295e+00 -1.803776093e+00 -1.963905744e+00 3.50 -1.376032733e+00 -1.771773585e+00 -1.930895830e+00 3.52 -1.350457101e+00 -1.740316544e+00 -1.901959581e+00 3.54 -1.325431423e+00 -1.709399029e+00 -1.871752706e+00 3.56 -1.300948766e+00 -1.679014905e+00 -1.839605740e+00 3.58 -1.277002240e+00 -1.649157890e+00 -1.807978056e+00 3.60 -1.253584984e+00 -1.619821595e+00 -1.776862619e+00 3.62 -1.230690162e+00 -1.590999559e+00 -1.746252151e+00 3.64 -1.208310942e+00 -1.562685278e+00 -1.716139184e+00 3.66 -1.186440486e+00 -1.534872235e+00 -1.686516105e+00 3.68 -1.165071931e+00 -1.507553923e+00 -1.657375201e+00 3.70 -1.144198370e+00 -1.480723862e+00 -1.628708699e+00 3.72 -1.123812829e+00 -1.454375620e+00 -1.600508792e+00 3.74 -1.103908245e+00 -1.428502821e+00 -1.572767676e+00 3.76 -1.084477442e+00 -1.403099162e+00 -1.545477575e+00 3.78 -1.065513100e+00 -1.378158420e+00 -1.518630758e+00 3.80 -1.047007733e+00 -1.353674459e+00 -1.492219566e+00 3.82 -1.028953656e+00 -1.329641233e+00 -1.466236425e+00 3.84 -1.011342954e+00 -1.306052790e+00 -1.440673861e+00 3.86 -9.941674557e-01 -1.282903277e+00 -1.415524513e+00 3.88 -9.774186943e-01 -1.260186933e+00 -1.390781142e+00 3.90 -9.610878815e-01 -1.237898092e+00 -1.366436642e+00 3.92 -9.451658736e-01 -1.216031180e+00 -1.342484045e+00 3.94 -9.296431404e-01 -1.194580708e+00 -1.318916524e+00 3.96 -9.145097359e-01 -1.173541269e+00 -1.295727404e+00 3.98 -8.997552703e-01 -1.152907530e+00 -1.272910156e+00 4.00 -8.853688851e-01 -1.132674225e+00 -1.250458404e+00 4.02 -8.700560220e-01 -1.112836148e+00 -1.228365927e+00 4.04 -8.352510194e-01 -1.093388139e+00 -1.206626655e+00 4.06 -7.347205304e-01 -1.074325079e+00 -1.185234668e+00 4.08 -6.587918905e-01 -1.055641875e+00 -1.164184200e+00 4.10 -6.476306587e-01 -1.037333451e+00 -1.143469632e+00 4.12 -6.361917455e-01 -1.019394731e+00 -1.123085491e+00 4.14 -6.249700932e-01 -1.001820628e+00 -1.103026448e+00 4.16 -6.139612194e-01 -9.846060303e-01 -1.083287312e+00 4.18 -6.031607238e-01 -9.677457850e-01 -1.063863031e+00 4.20 -5.925642855e-01 -9.512346824e-01 -1.044748684e+00 4.22 -5.821676611e-01 -9.350674400e-01 -1.025939481e+00 4.24 -5.719666817e-01 -9.192386858e-01 -1.007430756e+00 4.26 -5.619572515e-01 -9.036261203e-01 -9.892179616e-01 4.28 -5.521353453e-01 -8.859362066e-01 -9.712966701e-01 4.30 -5.424970071e-01 -8.598270793e-01 -9.536625644e-01 4.32 -5.330383482e-01 -8.216474873e-01 -9.363114356e-01 4.34 -5.237555455e-01 -8.013134460e-01 -9.192391785e-01 4.36 -5.146448406e-01 -7.896243130e-01 -9.024417874e-01 4.38 -5.057025379e-01 -7.781113800e-01 -8.859153516e-01 4.40 -4.967500718e-01 -7.667646377e-01 -8.696560517e-01 4.42 -4.845557116e-01 -7.555741885e-01 -8.536601550e-01 4.44 -4.561051217e-01 -7.445303133e-01 -8.379240122e-01 4.46 -3.618584828e-01 -7.336235428e-01 -8.224440529e-01 4.48 -2.827334871e-01 -7.228447332e-01 -8.072167822e-01 4.50 -2.782168044e-01 -7.121851435e-01 -7.922387769e-01 4.52 -2.737587738e-01 -7.016365135e-01 -7.775066821e-01 4.54 -2.693590409e-01 -6.911911405e-01 -7.630172077e-01 4.56 -2.650172420e-01 -6.808419529e-01 -7.487671251e-01 4.58 -2.607330040e-01 -6.705825770e-01 -7.347532643e-01 4.60 -2.565059440e-01 -6.604073965e-01 -7.209725105e-01 4.62 -2.523356699e-01 -6.503116013e-01 -7.074218016e-01 4.64 -2.482217805e-01 -6.402912246e-01 -6.940981252e-01 4.66 -2.441638656e-01 -6.303431647e-01 -6.809985163e-01 4.68 -2.401615061e-01 -6.204651923e-01 -6.681200544e-01 4.70 -2.362142748e-01 -6.106559414e-01 -6.554598615e-01 4.72 -2.323217363e-01 -6.009148831e-01 -6.430151000e-01 4.74 -2.284834477e-01 -5.912422834e-01 -6.307829699e-01 4.76 -2.246989586e-01 -5.816391455e-01 -6.187607079e-01 4.78 -2.209678119e-01 -5.721071386e-01 -6.069455846e-01 4.80 -2.172895441e-01 -5.626485145e-01 -5.953349032e-01 4.82 -2.136636855e-01 -5.532660153e-01 -5.839259980e-01 4.84 -2.100897609e-01 -5.439627745e-01 -5.727162327e-01 4.86 -2.065672902e-01 -5.347422155e-01 -5.617029989e-01 4.88 -2.030957884e-01 -5.256079493e-01 -5.508837151e-01 4.90 -1.996747663e-01 -5.165636750e-01 -5.402558250e-01 4.92 -1.958443259e-01 -5.067112296e-01 -5.289314054e-01 4.94 -1.857725880e-01 -4.844648798e-01 -5.055475232e-01 4.96 -1.543768709e-01 -4.169529313e-01 -4.373217518e-01 4.98 -8.324676697e-02 -2.461283136e-01 -2.621607828e-01 5.00 -5.075298052e-23 -2.489835908e-22 -2.308020212e-22 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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