# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Pan-Z-Borovikov-V-Mendelev-M-I-Sansoz-F--Ag-Ni # implementation = 2018--Pan-Z--Ag-Ni--LAMMPS--ipr1 # composition = Ag3Ni # 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 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 2.327240412e+04 nan nan 1.04 2.084480828e+04 nan nan 1.06 1.859938579e+04 nan nan 1.08 1.651951414e+04 nan nan 1.10 1.459035042e+04 2.479561409e+04 nan 1.12 1.279861171e+04 nan nan 1.14 1.113231095e+04 2.028075540e+04 2.381781854e+04 1.16 9.580685797e+03 1.825466580e+04 2.160858049e+04 1.18 8.134070079e+03 1.636561390e+04 1.954865466e+04 1.20 6.783767992e+03 1.460232559e+04 1.762566921e+04 1.22 5.521947556e+03 1.295447624e+04 1.582841582e+04 1.24 4.428506327e+03 1.141274866e+04 1.414679691e+04 1.26 3.547712842e+03 9.968760373e+03 1.257173753e+04 1.28 2.833842936e+03 8.614906401e+03 1.109500297e+04 1.30 2.254682593e+03 7.344338335e+03 9.709123210e+03 1.32 1.796371541e+03 6.150816131e+03 8.407283791e+03 1.34 1.434526214e+03 5.044408728e+03 7.183260458e+03 1.36 1.148274556e+03 4.119427169e+03 6.031389150e+03 1.38 9.213967022e+02 3.359431035e+03 4.967932387e+03 1.40 7.412304284e+02 2.731702396e+03 4.080124655e+03 1.42 5.978732230e+02 2.214425207e+03 3.346507300e+03 1.44 4.835837832e+02 1.797759538e+03 2.737265530e+03 1.46 3.922950454e+02 1.462260441e+03 2.232064365e+03 1.48 3.192382397e+02 1.191666067e+03 1.822460039e+03 1.50 2.606508602e+02 9.730536622e+02 1.490685907e+03 1.52 2.135576777e+02 7.961448826e+02 1.221529449e+03 1.54 1.756062470e+02 6.527628542e+02 1.002830921e+03 1.56 1.449414048e+02 5.363849454e+02 8.248608682e+02 1.58 1.200976578e+02 4.417932617e+02 6.798201432e+02 1.60 9.991217061e+01 3.647891508e+02 5.614403946e+02 1.62 8.345994010e+01 3.019909678e+02 4.646738042e+02 1.64 7.000651878e+01 2.506863277e+02 3.854508324e+02 1.66 5.896625221e+01 2.086962644e+02 3.204884198e+02 1.68 4.987004443e+01 1.742619006e+02 2.671327142e+02 1.70 4.234197533e+01 1.459602710e+02 2.232343206e+02 1.72 3.608150408e+01 1.226393366e+02 1.870499786e+02 1.74 3.085012926e+01 1.033678001e+02 1.571670676e+02 1.76 2.645744949e+01 8.739492563e+01 1.324430671e+02 1.78 2.274931250e+01 7.411772132e+01 1.119502953e+02 1.80 1.960068202e+01 6.305237972e+01 9.493171727e+01 1.82 1.690956044e+01 5.380885939e+01 8.076886731e+01 1.84 1.459282667e+01 4.607118252e+01 6.895155271e+01 1.86 1.258442082e+01 3.958160639e+01 5.905768263e+01 1.88 1.083237292e+01 3.412709693e+01 5.074466879e+01 1.90 9.294610460e+00 2.952906546e+01 4.373415623e+01 1.92 7.936943689e+00 2.563654254e+01 3.779733006e+01 1.94 6.732522526e+00 2.232184853e+01 3.274566451e+01 1.96 5.660325884e+00 1.947885029e+01 2.842513678e+01 1.98 4.703156446e+00 1.702126452e+01 2.471162566e+01 2.00 3.846818151e+00 1.487993158e+01 2.150504744e+01 2.02 3.080812556e+00 1.299967507e+01 1.872446038e+01 2.04 2.397382358e+00 1.133701185e+01 1.630461701e+01 2.06 1.789763732e+00 9.858276671e+00 1.419257585e+01 2.08 1.251553720e+00 8.537995086e+00 1.234488270e+01 2.10 7.779950401e-01 7.355266903e+00 1.072587400e+01 2.12 3.613235491e-01 6.294026492e+00 9.305599608e+00 2.14 -8.079546465e-03 5.341760003e+00 8.058075324e+00 2.16 -3.376504933e-01 4.487087611e+00 6.959980008e+00 2.18 -6.368476046e-01 3.719188812e+00 5.989838642e+00 2.20 -9.117199251e-01 3.027784522e+00 5.127757994e+00 2.22 -1.166883739e+00 2.403569303e+00 4.355694716e+00 2.24 -1.405568241e+00 1.838627494e+00 3.657960458e+00 2.26 -1.629659840e+00 1.324520614e+00 3.022013030e+00 2.28 -1.839715874e+00 8.546606189e-01 2.437957623e+00 2.30 -2.035489223e+00 4.233437032e-01 1.898044571e+00 2.32 -2.216310495e+00 2.582615622e-02 1.396880767e+00 2.34 -2.381305176e+00 -3.403206691e-01 9.313010417e-01 2.36 -2.529543321e+00 -6.765604294e-01 4.995111004e-01 2.38 -2.660294542e+00 -9.852598421e-01 1.002123136e-01 2.40 -2.773282472e+00 -1.268679418e+00 -2.667791560e-01 2.42 -2.868889506e+00 -1.529277077e+00 -6.023269116e-01 2.44 -2.948235140e+00 -1.768160474e+00 -9.077499460e-01 2.46 -3.011867334e+00 -1.984661656e+00 -1.184284204e+00 2.48 -3.061672837e+00 -2.178239097e+00 -1.434065103e+00 2.50 -3.099976097e+00 -2.348808433e+00 -1.659603072e+00 2.52 -3.128361460e+00 -2.496882816e+00 -1.863556822e+00 2.54 -3.148030517e+00 -2.623647334e+00 -2.048221901e+00 2.56 -3.159763025e+00 -2.730634805e+00 -2.214603685e+00 2.58 -3.163893691e+00 -2.819109365e+00 -2.362269200e+00 2.60 -3.161559811e+00 -2.892831464e+00 -2.494314174e+00 2.62 -3.153675915e+00 -2.955011167e+00 -2.613199408e+00 2.64 -3.140893032e+00 -3.008213395e+00 -2.720488651e+00 2.66 -3.123704256e+00 -3.054514733e+00 -2.817142467e+00 2.68 -3.102532509e+00 -3.094325111e+00 -2.903745991e+00 2.70 -3.077796579e+00 -3.128135355e+00 -2.980689863e+00 2.72 -3.049899248e+00 -3.156375395e+00 -3.048297157e+00 2.74 -3.019128927e+00 -3.179062986e+00 -3.106810019e+00 2.76 -2.985667209e+00 -3.195994635e+00 -3.155495993e+00 2.78 -2.949666985e+00 -3.206931766e+00 -3.194068086e+00 2.80 -2.911328764e+00 -3.211741627e+00 -3.222994540e+00 2.82 -2.870982086e+00 -3.210474141e+00 -3.242722590e+00 2.84 -2.829117833e+00 -3.203399550e+00 -3.253733983e+00 2.86 -2.786345260e+00 -3.190914165e+00 -3.256615693e+00 2.88 -2.743286508e+00 -3.173436928e+00 -3.252109458e+00 2.90 -2.700553572e+00 -3.151413867e+00 -3.241121185e+00 2.92 -2.658634495e+00 -3.125323794e+00 -3.224712095e+00 2.94 -2.617644075e+00 -3.095677058e+00 -3.204065966e+00 2.96 -2.577335380e+00 -3.063007718e+00 -3.180417281e+00 2.98 -2.537361220e+00 -3.027881307e+00 -3.154854379e+00 3.00 -2.497369269e+00 -2.990904846e+00 -3.128101488e+00 3.02 -2.457046129e+00 -2.952712852e+00 -3.100475296e+00 3.04 -2.416144795e+00 -2.913921437e+00 -3.072046332e+00 3.06 -2.374496434e+00 -2.875082966e+00 -3.042796178e+00 3.08 -2.332013039e+00 -2.836660020e+00 -3.012667877e+00 3.10 -2.288676506e+00 -2.798988908e+00 -2.981587357e+00 3.12 -2.244515066e+00 -2.762227525e+00 -2.949442292e+00 3.14 -2.199599690e+00 -2.726367202e+00 -2.916132708e+00 3.16 -2.154054799e+00 -2.691295489e+00 -2.881596390e+00 3.18 -2.108049032e+00 -2.656817266e+00 -2.845779295e+00 3.20 -2.061782619e+00 -2.622675400e+00 -2.808661739e+00 3.22 -2.015474345e+00 -2.588575975e+00 -2.770273805e+00 3.24 -1.969348742e+00 -2.554216593e+00 -2.730700908e+00 3.26 -1.923624009e+00 -2.519316069e+00 -2.690083336e+00 3.28 -1.878501134e+00 -2.483643509e+00 -2.648610916e+00 3.30 -1.834154535e+00 -2.447044335e+00 -2.606513822e+00 3.32 -1.790724532e+00 -2.409459655e+00 -2.564050395e+00 3.34 -1.748311792e+00 -2.370906608e+00 -2.521492709e+00 3.36 -1.706973885e+00 -2.331412780e+00 -2.479110476e+00 3.38 -1.666724343e+00 -2.291008831e+00 -2.437154602e+00 3.40 -1.627535376e+00 -2.249784121e+00 -2.395843150e+00 3.42 -1.589343451e+00 -2.207910731e+00 -2.355351144e+00 3.44 -1.552057505e+00 -2.165636226e+00 -2.315811770e+00 3.46 -1.515569866e+00 -2.123259230e+00 -2.277313522e+00 3.48 -1.479769505e+00 -2.081085093e+00 -2.239893828e+00 3.50 -1.444552596e+00 -2.039358445e+00 -2.203535732e+00 3.52 -1.409828042e+00 -1.998184215e+00 -2.168167901e+00 3.54 -1.375525662e+00 -1.957568914e+00 -2.133667868e+00 3.56 -1.341603817e+00 -1.917509073e+00 -2.099868338e+00 3.58 -1.308054690e+00 -1.877999245e+00 -2.066566278e+00 3.60 -1.274906313e+00 -1.839032088e+00 -2.033534422e+00 3.62 -1.242222353e+00 -1.800598848e+00 -2.000534689e+00 3.64 -1.210099493e+00 -1.762690521e+00 -1.967332974e+00 3.66 -1.178659554e+00 -1.725299996e+00 -1.933714595e+00 3.68 -1.148035911e+00 -1.688425470e+00 -1.899499645e+00 3.70 -1.118353307e+00 -1.652073644e+00 -1.864557367e+00 3.72 -1.089700037e+00 -1.616255342e+00 -1.828818527e+00 3.74 -1.062100476e+00 -1.580981336e+00 -1.792284571e+00 3.76 -1.035540462e+00 -1.546261425e+00 -1.755032623e+00 3.78 -1.009997710e+00 -1.512103749e+00 -1.717215097e+00 3.80 -9.854437422e-01 -1.478514226e+00 -1.679052447e+00 3.82 -9.618440664e-01 -1.445496144e+00 -1.640817556e+00 3.84 -9.391584224e-01 -1.413049923e+00 -1.602808400e+00 3.86 -9.173410897e-01 -1.381173034e+00 -1.565295214e+00 3.88 -8.963412598e-01 -1.349860100e+00 -1.528457876e+00 3.90 -8.761034713e-01 -1.319103157e+00 -1.492368595e+00 3.92 -8.565681052e-01 -1.288892061e+00 -1.457065225e+00 3.94 -8.376719417e-01 -1.259215026e+00 -1.422577433e+00 3.96 -8.193487725e-01 -1.230059265e+00 -1.388928195e+00 3.98 -8.015300672e-01 -1.201411692e+00 -1.356134783e+00 4.00 -7.841456939e-01 -1.173259646e+00 -1.324209479e+00 4.02 -7.671246856e-01 -1.145591598e+00 -1.293160069e+00 4.04 -7.503960525e-01 -1.118397763e+00 -1.262990153e+00 4.06 -7.338896340e-01 -1.091670581e+00 -1.233699299e+00 4.08 -7.175369894e-01 -1.065404975e+00 -1.205283111e+00 4.10 -7.012723176e-01 -1.039598322e+00 -1.177733226e+00 4.12 -6.850333993e-01 -1.014250082e+00 -1.151037312e+00 4.14 -6.687625692e-01 -9.893616435e-01 -1.125179099e+00 4.16 -6.524076981e-01 -9.649367415e-01 -1.100138494e+00 4.18 -6.359231705e-01 -9.409815606e-01 -1.075891834e+00 4.20 -6.192709009e-01 -9.175047070e-01 -1.052412333e+00 4.22 -6.024212911e-01 -8.945171046e-01 -1.029670761e+00 4.24 -5.853542150e-01 -8.720318093e-01 -1.007636428e+00 4.26 -5.680599811e-01 -8.500637265e-01 -9.862784130e-01 4.28 -5.505402456e-01 -8.286292292e-01 -9.655654283e-01 4.30 -5.328088937e-01 -8.077456583e-01 -9.454643556e-01 4.32 -5.148928848e-01 -7.874306982e-01 -9.259400699e-01 4.34 -4.968330346e-01 -7.677016165e-01 -9.069555397e-01 4.36 -4.786847309e-01 -7.485743538e-01 -8.884719653e-01 4.38 -4.605185734e-01 -7.300624520e-01 -8.704489633e-01 4.40 -4.424209501e-01 -7.121758092e-01 -8.528447956e-01 4.42 -4.244944114e-01 -6.949192487e-01 -8.356166450e-01 4.44 -4.068527265e-01 -6.782897711e-01 -8.187209376e-01 4.46 -3.896070399e-01 -6.622682743e-01 -8.021137083e-01 4.48 -3.728620002e-01 -6.468173467e-01 -7.857510082e-01 4.50 -3.567151230e-01 -6.318854607e-01 -7.695893480e-01 4.52 -3.412565345e-01 -6.174110522e-01 -7.535861748e-01 4.54 -3.265671196e-01 -6.033262269e-01 -7.377003686e-01 4.56 -3.127171104e-01 -5.895600624e-01 -7.218927660e-01 4.58 -2.997631232e-01 -5.760415847e-01 -7.061266759e-01 4.60 -2.877347991e-01 -5.627024130e-01 -6.903684097e-01 4.62 -2.766272816e-01 -5.494791017e-01 -6.745877827e-01 4.64 -2.664068733e-01 -5.363152150e-01 -6.587585987e-01 4.66 -2.570157608e-01 -5.231631586e-01 -6.428590880e-01 4.68 -2.483831213e-01 -5.099857805e-01 -6.268722953e-01 4.70 -2.404249377e-01 -4.967570264e-01 -6.107863777e-01 4.72 -2.330472457e-01 -4.834581448e-01 -5.945948379e-01 4.74 -2.261639551e-01 -4.700753591e-01 -5.782966338e-01 4.76 -2.196791184e-01 -4.566005919e-01 -5.618961824e-01 4.78 -2.134345084e-01 -4.430320717e-01 -5.454034482e-01 4.80 -2.074207336e-01 -4.293747615e-01 -5.288340663e-01 4.82 -2.016375202e-01 -4.156406369e-01 -5.122093303e-01 4.84 -1.960598285e-01 -4.018485110e-01 -4.955561034e-01 4.86 -1.907027998e-01 -3.880240393e-01 -4.789066558e-01 4.88 -1.854379248e-01 -3.741994263e-01 -4.622983896e-01 4.90 -1.800290655e-01 -3.604124403e-01 -4.457734893e-01 4.92 -1.743222254e-01 -3.467067062e-01 -4.293784992e-01 4.94 -1.682484826e-01 -3.331297742e-01 -4.131637865e-01 4.96 -1.617902246e-01 -3.197334261e-01 -3.971827332e-01 4.98 -1.549637369e-01 -3.065716099e-01 -3.814911950e-01 5.00 -1.476685076e-01 -2.937001167e-01 -3.661464559e-01 5.02 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