# 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 = Al3Ni # 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 9.648025199e+01 nan nan 1.16 8.902975024e+01 nan nan 1.18 8.215581851e+01 nan nan 1.20 7.580742795e+01 nan nan 1.22 6.993782212e+01 nan nan 1.24 6.450482377e+01 nan nan 1.26 5.947198587e+01 nan nan 1.28 5.480793198e+01 8.416347945e+01 9.601141096e+01 1.30 5.048477762e+01 7.815672884e+01 8.934370700e+01 1.32 4.647720762e+01 7.256799344e+01 8.314064584e+01 1.34 4.276167132e+01 6.736524540e+01 7.736751631e+01 1.36 3.931531622e+01 6.251974999e+01 7.199267930e+01 1.38 3.611581143e+01 5.800664092e+01 6.698529652e+01 1.40 3.314257510e+01 5.380390675e+01 6.231444711e+01 1.42 3.037802704e+01 4.989054238e+01 5.795080765e+01 1.44 2.780739924e+01 4.624497478e+01 5.386911172e+01 1.46 2.541734327e+01 4.284476262e+01 5.004900456e+01 1.48 2.319663350e+01 3.966799843e+01 4.647389159e+01 1.50 2.113714838e+01 3.669548771e+01 4.312902291e+01 1.52 1.922590110e+01 3.391199599e+01 4.000011697e+01 1.54 1.745117160e+01 3.130577800e+01 3.707304409e+01 1.56 1.580307836e+01 2.886708096e+01 3.433419712e+01 1.58 1.427309148e+01 2.658673217e+01 3.177085090e+01 1.60 1.285332037e+01 2.445548489e+01 2.937119307e+01 1.62 1.153604627e+01 2.246686174e+01 2.712412075e+01 1.64 1.031366074e+01 2.061380907e+01 2.501897351e+01 1.66 9.178917322e+00 1.888620005e+01 2.304746595e+01 1.68 8.125281729e+00 1.727428163e+01 2.120353871e+01 1.70 7.147157706e+00 1.576904379e+01 1.947763492e+01 1.72 6.239859075e+00 1.436249040e+01 1.786139527e+01 1.74 5.399343506e+00 1.304765172e+01 1.634795268e+01 1.76 4.621837756e+00 1.181836600e+01 1.493168104e+01 1.78 3.903508352e+00 1.066905245e+01 1.360769773e+01 1.80 3.240270360e+00 9.594638958e+00 1.237137034e+01 1.82 2.627751440e+00 8.590610669e+00 1.121796254e+01 1.84 2.061400316e+00 7.653031265e+00 1.014242920e+01 1.86 1.536726342e+00 6.778434684e+00 9.139340170e+00 1.88 1.049617721e+00 5.963596207e+00 8.202955213e+00 1.90 5.966200620e-01 5.205266480e+00 7.327490263e+00 1.92 1.750528099e-01 4.499967237e+00 6.507537101e+00 1.94 -2.170678168e-01 3.843927660e+00 5.738468735e+00 1.96 -5.812223629e-01 3.233192996e+00 5.016627678e+00 1.98 -9.185859156e-01 2.663868012e+00 4.339224571e+00 2.00 -1.230162581e+00 2.132399385e+00 3.704050327e+00 2.02 -1.516854280e+00 1.635790167e+00 3.109174555e+00 2.04 -1.779497437e+00 1.171675420e+00 2.552748225e+00 2.06 -2.018901354e+00 7.382468983e-01 2.032932792e+00 2.08 -2.235904627e+00 3.340730035e-01 1.547913525e+00 2.10 -2.431446912e+00 -4.210741568e-02 1.095938795e+00 2.12 -2.606638271e+00 -3.915480320e-01 6.753442972e-01 2.14 -2.762800913e+00 -7.155819611e-01 2.845460516e-01 2.16 -2.901462921e+00 -1.015635574e+00 -7.799579964e-02 2.18 -3.024299656e+00 -1.293191744e+00 -4.138302254e-01 2.20 -3.133037369e+00 -1.549729709e+00 -7.245659748e-01 2.22 -3.229344190e+00 -1.786665440e+00 -1.011893729e+00 2.24 -3.314733000e+00 -2.005307956e+00 -1.277557893e+00 2.26 -3.390492359e+00 -2.206836695e+00 -1.523275556e+00 2.28 -3.457652279e+00 -2.392296817e+00 -1.750630465e+00 2.30 -3.516982760e+00 -2.562605684e+00 -1.960987273e+00 2.32 -3.569026670e+00 -2.718564528e+00 -2.155460692e+00 2.34 -3.614149729e+00 -2.860870458e+00 -2.334942877e+00 2.36 -3.652597390e+00 -2.990127278e+00 -2.500166129e+00 2.38 -3.684548302e+00 -3.106856730e+00 -2.651772104e+00 2.40 -3.710158637e+00 -3.211514967e+00 -2.790369079e+00 2.42 -3.729596063e+00 -3.304518322e+00 -2.916572459e+00 2.44 -3.743459383e+00 -3.386277585e+00 -3.031030713e+00 2.46 -3.753862330e+00 -3.457234646e+00 -3.134439369e+00 2.48 -3.760512254e+00 -3.517893067e+00 -3.227542768e+00 2.50 -3.762897440e+00 -3.568837139e+00 -3.311121784e+00 2.52 -3.760658240e+00 -3.610736262e+00 -3.385967743e+00 2.54 -3.753550740e+00 -3.644345582e+00 -3.452847691e+00 2.56 -3.741421205e+00 -3.670500627e+00 -3.512469716e+00 2.58 -3.724196658e+00 -3.690106234e+00 -3.565454946e+00 2.60 -3.701897669e+00 -3.704113827e+00 -3.612321240e+00 2.62 -3.674696238e+00 -3.713480598e+00 -3.653478492e+00 2.64 -3.642913704e+00 -3.719213269e+00 -3.689230411e+00 2.66 -3.607002046e+00 -3.723209963e+00 -3.719782329e+00 2.68 -3.567533357e+00 -3.726683811e+00 -3.745254953e+00 2.70 -3.525163777e+00 -3.729228722e+00 -3.765703694e+00 2.72 -3.480578790e+00 -3.730434895e+00 -3.781146822e+00 2.74 -3.434434262e+00 -3.729939831e+00 -3.792825855e+00 2.76 -3.387308107e+00 -3.727426940e+00 -3.801294305e+00 2.78 -3.339671329e+00 -3.722623906e+00 -3.805961814e+00 2.80 -3.291879084e+00 -3.715298533e+00 -3.806384269e+00 2.82 -3.244176804e+00 -3.705253826e+00 -3.802304408e+00 2.84 -3.196715387e+00 -3.692330191e+00 -3.793659220e+00 2.86 -3.149570527e+00 -3.676408487e+00 -3.780578392e+00 2.88 -3.102763143e+00 -3.657396404e+00 -3.763366824e+00 2.90 -3.056278559e+00 -3.635221405e+00 -3.742467707e+00 2.92 -3.010083035e+00 -3.609837366e+00 -3.718420090e+00 2.94 -2.964136417e+00 -3.581233960e+00 -3.691809588e+00 2.96 -2.918400440e+00 -3.549448407e+00 -3.663174658e+00 2.98 -2.872843115e+00 -3.514578430e+00 -3.632959024e+00 3.00 -2.827439837e+00 -3.476794054e+00 -3.601491351e+00 3.02 -2.782172229e+00 -3.436344780e+00 -3.568987097e+00 3.04 -2.737025725e+00 -3.393558313e+00 -3.535566157e+00 3.06 -2.691986766e+00 -3.348828151e+00 -3.501278566e+00 3.08 -2.647040316e+00 -3.302589597e+00 -3.466131252e+00 3.10 -2.602168232e+00 -3.255287748e+00 -3.430111158e+00 3.12 -2.557348831e+00 -3.207343239e+00 -3.393202455e+00 3.14 -2.512557763e+00 -3.159122877e+00 -3.355397379e+00 3.16 -2.467770121e+00 -3.110920237e+00 -3.316701290e+00 3.18 -2.422963443e+00 -3.062948701e+00 -3.277133103e+00 3.20 -2.378121133e+00 -3.015345459e+00 -3.236722507e+00 3.22 -2.333235704e+00 -2.968183139e+00 -3.195505507e+00 3.24 -2.288311279e+00 -2.921484997e+00 -3.153519595e+00 3.26 -2.243364929e+00 -2.875240252e+00 -3.110799765e+00 3.28 -2.198426643e+00 -2.829417422e+00 -3.067375976e+00 3.30 -2.153537991e+00 -2.783974712e+00 -3.023272333e+00 3.32 -2.108749734e+00 -2.738867442e+00 -2.978507908e+00 3.34 -2.064118783e+00 -2.694052972e+00 -2.933098951e+00 3.36 -2.019704982e+00 -2.649493724e+00 -2.887062222e+00 3.38 -1.975567970e+00 -2.605158884e+00 -2.840419217e+00 3.40 -1.931764579e+00 -2.561025217e+00 -2.793201024e+00 3.42 -1.888346779e+00 -2.517077298e+00 -2.745453486e+00 3.44 -1.845360320e+00 -2.473307260e+00 -2.697242119e+00 3.46 -1.802843880e+00 -2.429714292e+00 -2.648656042e+00 3.48 -1.760828797e+00 -2.386303857e+00 -2.599809989e+00 3.50 -1.719339084e+00 -2.343086751e+00 -2.550843525e+00 3.52 -1.678391712e+00 -2.300078073e+00 -2.501917011e+00 3.54 -1.637996872e+00 -2.257296174e+00 -2.453204024e+00 3.56 -1.598158307e+00 -2.214761630e+00 -2.404881461e+00 3.58 -1.558873503e+00 -2.172496298e+00 -2.357118403e+00 3.60 -1.520133758e+00 -2.130522435e+00 -2.310065644e+00 3.62 -1.481924127e+00 -2.088861919e+00 -2.263847467e+00 3.64 -1.444223270e+00 -2.047535544e+00 -2.218556718e+00 3.66 -1.407003247e+00 -2.006562412e+00 -2.174253438e+00 3.68 -1.370229326e+00 -1.965959450e+00 -2.130966601e+00 3.70 -1.333859879e+00 -1.925741067e+00 -2.088698060e+00 3.72 -1.297846461e+00 -1.885919005e+00 -2.047427634e+00 3.74 -1.262134145e+00 -1.846502375e+00 -2.007118434e+00 3.76 -1.226662236e+00 -1.807497899e+00 -1.967721778e+00 3.78 -1.191365475e+00 -1.768910282e+00 -1.929181374e+00 3.80 -1.156175825e+00 -1.730742648e+00 -1.891436678e+00 3.82 -1.121024972e+00 -1.692996910e+00 -1.854425516e+00 3.84 -1.085847581e+00 -1.655673948e+00 -1.818086120e+00 3.86 -1.050585347e+00 -1.618773493e+00 -1.782358749e+00 3.88 -1.015191753e+00 -1.582293665e+00 -1.747187020e+00 3.90 -9.796373310e-01 -1.546230213e+00 -1.712519020e+00 3.92 -9.439150695e-01 -1.510575558e+00 -1.678308221e+00 3.94 -9.080454937e-01 -1.475317898e+00 -1.644514237e+00 3.96 -8.720806314e-01 -1.440440431e+00 -1.611103210e+00 3.98 -8.361062983e-01 -1.405921064e+00 -1.578048034e+00 4.00 -8.002418791e-01 -1.371732557e+00 -1.545328217e+00 4.02 -7.646371392e-01 -1.337843186e+00 -1.512929434e+00 4.04 -7.294658793e-01 -1.304217859e+00 -1.480842831e+00 4.06 -6.949166971e-01 -1.270819606e+00 -1.449064108e+00 4.08 -6.611816071e-01 -1.237611367e+00 -1.417592483e+00 4.10 -6.284436812e-01 -1.204557972e+00 -1.386429597e+00 4.12 -5.968651169e-01 -1.171628448e+00 -1.355578472e+00 4.14 -5.665771295e-01 -1.138798178e+00 -1.325042556e+00 4.16 -5.376728054e-01 -1.106051436e+00 -1.294824937e+00 4.18 -5.102035888e-01 -1.073383734e+00 -1.264927747e+00 4.20 -4.841795056e-01 -1.040804007e+00 -1.235351794e+00 4.22 -4.595728512e-01 -1.008336370e+00 -1.206096407e+00 4.24 -4.363242669e-01 -9.760211705e-01 -1.177159517e+00 4.26 -4.143506757e-01 -9.439150578e-01 -1.148537944e+00 4.28 -3.935537885e-01 -9.120898529e-01 -1.120227862e+00 4.30 -3.738284830e-01 -8.806301123e-01 -1.092225424e+00 4.32 -3.550703925e-01 -8.496294534e-01 -1.064527469e+00 4.34 -3.371822652e-01 -8.191858993e-01 -1.037132256e+00 4.36 -3.200788299e-01 -7.893966667e-01 -1.010040130e+00 4.38 -3.036900692e-01 -7.603529224e-01 -9.832540140e-01 4.40 -2.879628075e-01 -7.321350319e-01 -9.567796214e-01 4.42 -2.728607752e-01 -7.048087309e-01 -9.306252828e-01 4.44 -2.583632190e-01 -6.784224795e-01 -9.048013186e-01 4.46 -2.444623242e-01 -6.530060666e-01 -8.793189349e-01 4.48 -2.311597608e-01 -6.285703634e-01 -8.541886890e-01 4.50 -2.184627441e-01 -6.051080133e-01 -8.294186458e-01 4.52 -2.063800309e-01 -5.825948088e-01 -8.050123767e-01 4.54 -1.949182583e-01 -5.609915167e-01 -7.809672180e-01 4.56 -1.840789623e-01 -5.402459699e-01 -7.572725239e-01 4.58 -1.738564972e-01 -5.202952959e-01 -7.339087787e-01 4.60 -1.642369465e-01 -5.010682022e-01 -7.108471773e-01 4.62 -1.551979808e-01 -4.824872672e-01 -6.880499352e-01 4.64 -1.467095212e-01 -4.644712038e-01 -6.654712680e-01 4.66 -1.387350016e-01 -4.469370685e-01 -6.430589572e-01 4.68 -1.312330077e-01 -4.298023988e-01 -6.207563953e-01 4.70 -1.241590838e-01 -4.129872694e-01 -5.985049929e-01 4.72 -1.174675425e-01 -3.964162658e-01 -5.762468449e-01 4.74 -1.111131558e-01 -3.800203827e-01 -5.539275695e-01 4.76 -1.050526560e-01 -3.637388522e-01 -5.314992470e-01 4.78 -9.924601150e-02 -3.475208985e-01 -5.089233874e-01 4.80 -9.365746393e-02 -3.313273831e-01 -4.861738440e-01 4.82 -8.825633522e-02 -3.151323897e-01 -4.632395613e-01 4.84 -8.301760586e-02 -2.989244147e-01 -4.401270130e-01 4.86 -7.792215430e-02 -2.827074023e-01 -4.168621442e-01 4.88 -7.295699524e-02 -2.665012224e-01 -3.934916103e-01 4.90 -6.811548473e-02 -2.503415638e-01 -3.700830930e-01 4.92 -6.339656235e-02 -2.342791011e-01 -3.467245031e-01 4.94 -5.880420826e-02 -2.183778557e-01 -3.235219436e-01 4.96 -5.434666650e-02 -2.027127377e-01 -3.005964052e-01 4.98 -5.003546257e-02 -1.873663455e-01 -2.780792992e-01 5.00 -4.588427776e-02 -1.724251888e-01 -2.561070729e-01 5.02 -4.190775457e-02 -1.579755882e-01 -2.348152803e-01 5.04 -3.812030911e-02 -1.440995589e-01 -2.143325681e-01 5.06 -3.453504253e-02 -1.308710019e-01 -1.947750676e-01 5.08 -3.116284255e-02 -1.183525008e-01 -1.762416466e-01 5.10 -2.801170417e-02 -1.065929515e-01 -1.588103715e-01 5.12 -2.508630931e-02 -9.562616429e-02 -1.425363887e-01 5.14 -2.238786781e-02 -8.547043485e-02 -1.274512712e-01 5.16 -1.991384448e-02 -7.612903359e-02 -1.135637246e-01 5.18 -1.765872856e-02 -6.759143872e-02 -1.008614278e-01 5.20 -1.561489191e-02 -5.983513083e-02 -8.931371021e-02 5.22 -1.377237866e-02 -5.282773476e-02 -7.887474489e-02 5.24 -1.211947692e-02 -4.652928471e-02 -6.948696771e-02 5.26 -1.064328215e-02 -4.089442315e-02 -6.108441248e-02 5.28 -9.330213471e-03 -3.587406064e-02 -5.359581721e-02 5.30 -8.166461600e-03 -3.141812438e-02 -4.694733268e-02 5.32 -7.138358056e-03 -2.747667171e-02 -4.106484003e-02 5.34 -6.232663816e-03 -2.400079654e-02 -3.587577453e-02 5.36 -5.436781967e-03 -2.094357024e-02 -3.131048949e-02 5.38 -4.738902664e-03 -1.826032798e-02 -2.730260530e-02 5.40 -4.128090699e-03 -1.590991987e-02 -2.379098576e-02 5.42 -3.594326504e-03 -1.385471536e-02 -2.071973653e-02 5.44 -3.128510946e-03 -1.206030234e-02 -1.803750643e-02 5.46 -2.722443225e-03 -1.049550663e-02 -1.569795402e-02 5.48 -2.368779823e-03 -9.132306477e-03 -1.365946772e-02 5.50 -2.060981058e-03 -7.945676582e-03 -1.188480758e-02 5.52 -1.793250411e-03 -6.913388450e-03 -1.034084516e-02 5.54 -1.560470610e-03 -6.015787140e-03 -8.998246654e-03 5.56 -1.358139385e-03 -5.235559214e-03 -7.831177858e-03 5.58 -1.182306960e-03 -4.557502222e-03 -6.816915628e-03 5.60 -1.029516685e-03 -3.968302756e-03 -5.935560685e-03 5.62 -8.967496508e-04 -3.456327515e-03 -5.169719802e-03 5.64 -7.813737538e-04 -3.011429929e-03 -4.504219415e-03 5.66 -6.810973767e-04 -2.624773533e-03 -3.925843194e-03 5.68 -5.939276544e-04 -2.288672298e-03 -3.423094314e-03 5.70 -5.181331477e-04 -1.996447499e-03 -2.985982014e-03 5.72 -4.522106659e-04 -1.742300276e-03 -2.605831362e-03 5.74 -3.948559266e-04 -1.521198785e-03 -2.275114677e-03 5.76 -3.449377177e-04 -1.328778733e-03 -1.987302856e-03 5.78 -3.014752262e-04 -1.161256032e-03 -1.736734786e-03 5.80 -2.636182006e-04 -1.015350337e-03 -1.518502986e-03 5.82 -2.306296382e-04 -8.882182858e-04 -1.328353747e-03 5.84 -2.018707045e-04 -7.773953315e-04 -1.162600112e-03 5.86 -1.767876199e-04 -6.807451470e-04 -1.018046183e-03 5.88 -1.549002721e-04 -5.964156849e-04 -8.919213790e-04 5.90 -1.357923381e-04 -5.228010581e-04 -7.818233997e-04 5.92 -1.191027243e-04 -4.585085008e-04 -6.856687936e-04 5.94 -1.045181527e-04 -4.023297547e-04 -6.016501443e-04 5.96 -9.176674360e-05 -3.532163011e-04 -5.281990124e-04 5.98 -8.061246396e-05 -3.102579307e-04 -4.639538720e-04 6.00 -7.085032468e-05 -2.726642076e-04 -4.077323773e-04