# 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 = AlPt3 # 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 3.770195778e+02 nan nan 1.16 3.504485949e+02 nan nan 1.18 3.257253776e+02 nan nan 1.20 3.026941015e+02 nan nan 1.22 2.812302855e+02 nan nan 1.24 2.612273394e+02 nan nan 1.26 2.425835774e+02 nan nan 1.28 2.251919368e+02 3.336779999e+02 3.764799153e+02 1.30 2.089435011e+02 3.120199256e+02 3.527119405e+02 1.32 1.937425104e+02 2.917147308e+02 3.304053385e+02 1.34 1.795151406e+02 2.726700703e+02 3.094394120e+02 1.36 1.662028661e+02 2.547935669e+02 2.897253071e+02 1.38 1.537498429e+02 2.379918144e+02 2.712015743e+02 1.40 1.420975213e+02 2.221808356e+02 2.538170503e+02 1.42 1.311873465e+02 2.072986519e+02 2.375153435e+02 1.44 1.209641954e+02 1.933058686e+02 2.222285630e+02 1.46 1.113762185e+02 1.801726007e+02 2.078799151e+02 1.48 1.023726840e+02 1.678636260e+02 1.943916185e+02 1.50 9.390327669e+01 1.563315880e+02 1.816923499e+02 1.52 8.591979561e+01 1.455179849e+02 1.697207124e+02 1.54 7.837917829e+01 1.353578427e+02 1.584250862e+02 1.56 7.124677859e+01 1.257857817e+02 1.477609282e+02 1.58 6.449817296e+01 1.167422170e+02 1.376873013e+02 1.60 5.811738538e+01 1.081781101e+02 1.281655747e+02 1.62 5.218656551e+01 1.000567814e+02 1.191609402e+02 1.64 4.678964487e+01 9.235219241e+01 1.106437052e+02 1.66 4.188145743e+01 8.504484757e+01 1.025878135e+02 1.68 3.741584825e+01 7.811792975e+01 9.496770838e+01 1.70 3.335006923e+01 7.155548062e+01 8.775616303e+01 1.72 2.964686998e+01 6.534197364e+01 8.092407509e+01 1.74 2.627460105e+01 5.946145752e+01 7.444154848e+01 1.76 2.320594031e+01 5.393627775e+01 6.827947684e+01 1.78 2.041621845e+01 4.885939985e+01 6.241144872e+01 1.80 1.788213791e+01 4.419714917e+01 5.681684745e+01 1.82 1.558121158e+01 3.990753908e+01 5.158146552e+01 1.84 1.349188003e+01 3.595384970e+01 4.675262847e+01 1.86 1.159396767e+01 3.230647217e+01 4.230952314e+01 1.88 9.869044096e+00 2.894252637e+01 3.823070315e+01 1.90 8.300505137e+00 2.584434317e+01 3.449276760e+01 1.92 6.873491648e+00 2.299735045e+01 3.106994553e+01 1.94 5.574810297e+00 2.038800087e+01 2.793522635e+01 1.96 4.392889031e+00 1.800227396e+01 2.506203522e+01 1.98 3.317711904e+00 1.582501496e+01 2.242557532e+01 2.00 2.340687690e+00 1.384006801e+01 2.000346355e+01 2.02 1.454444673e+00 1.203091983e+01 1.777575364e+01 2.04 6.525668944e-01 1.038148301e+01 1.572468657e+01 2.06 -7.069946760e-02 8.876731468e+00 1.383447460e+01 2.08 -7.207258372e-01 7.503056192e+00 1.209122431e+01 2.10 -1.302714582e+00 6.248339581e+00 1.048293173e+01 2.12 -1.821809470e+00 5.101828433e+00 8.999429828e+00 2.14 -2.283108042e+00 4.053921828e+00 7.632204639e+00 2.16 -2.691616977e+00 3.095979002e+00 6.374058135e+00 2.18 -3.052191379e+00 2.220201065e+00 5.218659826e+00 2.20 -3.369469109e+00 1.419580711e+00 4.160085469e+00 2.22 -3.647790964e+00 6.878814936e-01 3.192460899e+00 2.24 -3.891109089e+00 1.961074572e-02 2.309790351e+00 2.26 -4.102910027e+00 -5.900297076e-01 1.505969929e+00 2.28 -4.286183106e+00 -1.145213899e+00 7.749233541e-01 2.30 -4.443444707e+00 -1.649575280e+00 1.107787706e-01 2.32 -4.576805566e+00 -2.106296023e+00 -4.919769160e-01 2.34 -4.688058500e+00 -2.518197051e+00 -1.038401439e+00 2.36 -4.780292344e+00 -2.887825306e+00 -1.533069146e+00 2.38 -4.857439929e+00 -3.217535391e+00 -1.980104879e+00 2.40 -4.919917696e+00 -3.509562847e+00 -2.383260962e+00 2.42 -4.968147673e+00 -3.766086734e+00 -2.746010304e+00 2.44 -5.002638931e+00 -3.989280508e+00 -3.071625654e+00 2.46 -5.023957467e+00 -4.181352786e+00 -3.363220699e+00 2.48 -5.032696446e+00 -4.344581427e+00 -3.623744299e+00 2.50 -5.029461865e+00 -4.481341924e+00 -3.855938763e+00 2.52 -5.014886141e+00 -4.594122981e+00 -4.062286092e+00 2.54 -4.989670405e+00 -4.685513829e+00 -4.244966113e+00 2.56 -4.954640627e+00 -4.758742443e+00 -4.405839902e+00 2.58 -4.910790846e+00 -4.819291519e+00 -4.546459642e+00 2.60 -4.859286326e+00 -4.869563694e+00 -4.668098336e+00 2.62 -4.801412527e+00 -4.910587161e+00 -4.771791226e+00 2.64 -4.738479183e+00 -4.943239782e+00 -4.858661897e+00 2.66 -4.671709549e+00 -4.968214832e+00 -4.932064039e+00 2.68 -4.602347751e+00 -4.986018456e+00 -4.992704000e+00 2.70 -4.531815154e+00 -4.996990335e+00 -5.040545003e+00 2.72 -4.460491934e+00 -5.001337321e+00 -5.075674321e+00 2.74 -4.388551811e+00 -4.999170861e+00 -5.098350563e+00 2.76 -4.316092351e+00 -4.990541818e+00 -5.109048510e+00 2.78 -4.243176993e+00 -4.975469608e+00 -5.108488907e+00 2.80 -4.169860737e+00 -4.953965627e+00 -5.097639725e+00 2.82 -4.096200212e+00 -4.926052925e+00 -5.077679849e+00 2.84 -4.022254886e+00 -4.891785209e+00 -5.049926009e+00 2.86 -3.948092916e+00 -4.851267683e+00 -5.015735350e+00 2.88 -3.873784768e+00 -4.804680869e+00 -4.976403879e+00 2.90 -3.799392867e+00 -4.752306074e+00 -4.933081188e+00 2.92 -3.724971281e+00 -4.694789887e+00 -4.886714943e+00 2.94 -3.650564914e+00 -4.633006223e+00 -4.838028964e+00 2.96 -3.576207912e+00 -4.567469152e+00 -4.787530702e+00 2.98 -3.501922363e+00 -4.498812561e+00 -4.735689295e+00 3.00 -3.427718014e+00 -4.427750507e+00 -4.683072557e+00 3.02 -3.353593649e+00 -4.355014263e+00 -4.629591284e+00 3.04 -3.279540106e+00 -4.281288211e+00 -4.575088553e+00 3.06 -3.205544554e+00 -4.207157488e+00 -4.519406381e+00 3.08 -3.131595452e+00 -4.133076013e+00 -4.462400309e+00 3.10 -3.057687524e+00 -4.059357683e+00 -4.403947996e+00 3.12 -2.983826150e+00 -3.986191659e+00 -4.343952765e+00 3.14 -2.910030590e+00 -3.913663951e+00 -4.282343482e+00 3.16 -2.836335635e+00 -3.841776527e+00 -4.219072187e+00 3.18 -2.762791472e+00 -3.770474078e+00 -4.154110907e+00 3.20 -2.689461815e+00 -3.699667554e+00 -4.087451394e+00 3.22 -2.616420614e+00 -3.629252903e+00 -4.019104078e+00 3.24 -2.543747892e+00 -3.559124967e+00 -3.949091426e+00 3.26 -2.471559201e+00 -3.489187191e+00 -3.877448613e+00 3.28 -2.400053437e+00 -3.419358008e+00 -3.804226577e+00 3.30 -2.329416472e+00 -3.349574723e+00 -3.729497073e+00 3.32 -2.259802956e+00 -3.279795524e+00 -3.653359323e+00 3.34 -2.191337256e+00 -3.210000076e+00 -3.575947388e+00 3.36 -2.124115183e+00 -3.140188993e+00 -3.497436899e+00 3.38 -2.058206388e+00 -3.070382378e+00 -3.418049390e+00 3.40 -1.993657339e+00 -3.000617619e+00 -3.338052376e+00 3.42 -1.930494618e+00 -2.930946634e+00 -3.257753740e+00 3.44 -1.868728395e+00 -2.861432697e+00 -3.177489984e+00 3.46 -1.808355687e+00 -2.792147103e+00 -3.097609214e+00 3.48 -1.749363439e+00 -2.723165806e+00 -3.018451159e+00 3.50 -1.691731094e+00 -2.654566177e+00 -2.940327247e+00 3.52 -1.635432653e+00 -2.586424700e+00 -2.863503947e+00 3.54 -1.580438113e+00 -2.518843585e+00 -2.788191286e+00 3.56 -1.526714389e+00 -2.451957347e+00 -2.714537794e+00 3.58 -1.474225737e+00 -2.385905800e+00 -2.642631133e+00 3.60 -1.422933831e+00 -2.320816629e+00 -2.572503210e+00 3.62 -1.372797653e+00 -2.256792147e+00 -2.504144969e+00 3.64 -1.323773381e+00 -2.193910176e+00 -2.437579282e+00 3.66 -1.275814473e+00 -2.132225283e+00 -2.372825197e+00 3.68 -1.228872117e+00 -2.071770252e+00 -2.309858180e+00 3.70 -1.182896201e+00 -2.012557816e+00 -2.248621504e+00 3.72 -1.137836919e+00 -1.954582674e+00 -2.189036367e+00 3.74 -1.093647043e+00 -1.897823761e+00 -2.131010185e+00 3.76 -1.050284832e+00 -1.842246753e+00 -2.074443348e+00 3.78 -1.007717448e+00 -1.787806717e+00 -2.019234722e+00 3.80 -9.659246247e-01 -1.734450828e+00 -1.965286116e+00 3.82 -9.249021943e-01 -1.682121028e+00 -1.912505865e+00 3.84 -8.846649936e-01 -1.630756520e+00 -1.860811591e+00 3.86 -8.452485409e-01 -1.580296010e+00 -1.810132166e+00 3.88 -8.067089025e-01 -1.530679633e+00 -1.760408899e+00 3.90 -7.691202691e-01 -1.481850565e+00 -1.711595968e+00 3.92 -7.325700238e-01 -1.433756353e+00 -1.663660136e+00 3.94 -6.971515041e-01 -1.386350088e+00 -1.616579922e+00 3.96 -6.629550402e-01 -1.339591441e+00 -1.570344192e+00 3.98 -6.300584157e-01 -1.293447802e+00 -1.524950504e+00 4.00 -5.985179889e-01 -1.247895528e+00 -1.480403219e+00 4.02 -5.683617834e-01 -1.202921384e+00 -1.436711555e+00 4.04 -5.395855112e-01 -1.158524155e+00 -1.393887705e+00 4.06 -5.121519837e-01 -1.114716315e+00 -1.351945097e+00 4.08 -4.859937971e-01 -1.071525544e+00 -1.310896863e+00 4.10 -4.610187013e-01 -1.028995790e+00 -1.270754559e+00 4.12 -4.371167852e-01 -9.871876206e-01 -1.231527137e+00 4.14 -4.141685514e-01 -9.461772949e-01 -1.193220173e+00 4.16 -3.920530644e-01 -9.060546078e-01 -1.155835326e+00 4.18 -3.706555511e-01 -8.669191770e-01 -1.119369998e+00 4.20 -3.498740374e-01 -8.288753927e-01 -1.083817167e+00 4.22 -3.296247758e-01 -7.920263872e-01 -1.049165348e+00 4.24 -3.098462552e-01 -7.564675963e-01 -1.015398653e+00 4.26 -2.905017260e-01 -7.222805977e-01 -9.824969313e-01 4.28 -2.715800845e-01 -6.895278875e-01 -9.504359397e-01 4.30 -2.530950609e-01 -6.582491156e-01 -9.191875504e-01 4.32 -2.350827065e-01 -6.284590702e-01 -8.887199679e-01 4.34 -2.175973009e-01 -6.001474435e-01 -8.589979527e-01 4.36 -2.007059604e-01 -5.732801889e-01 -8.299830495e-01 4.38 -1.844824160e-01 -5.478021282e-01 -8.016338237e-01 4.40 -1.690004817e-01 -5.236403929e-01 -7.739061148e-01 4.42 -1.543279028e-01 -5.007082961e-01 -7.467533197e-01 4.44 -1.405211008e-01 -4.789092810e-01 -7.201267247e-01 4.46 -1.276212616e-01 -4.581406788e-01 -6.939759075e-01 4.48 -1.156519982e-01 -4.382971019e-01 -6.682492359e-01 4.50 -1.046186056e-01 -4.192733802e-01 -6.428944913e-01 4.52 -9.450874323e-02 -4.009670229e-01 -6.178596342e-01 4.54 -8.529427652e-02 -3.832802399e-01 -5.930938256e-01 4.56 -7.693386378e-02 -3.661215938e-01 -5.685485105e-01 4.58 -6.937601443e-02 -3.494073674e-01 -5.441788821e-01 4.60 -6.256223582e-02 -3.330627330e-01 -5.199454941e-01 4.62 -5.643004272e-02 -3.170227975e-01 -4.958160999e-01 4.64 -5.091565231e-02 -3.012335688e-01 -4.717676517e-01 4.66 -4.595625768e-02 -2.856528594e-01 -4.477883747e-01 4.68 -4.149181877e-02 -2.702511040e-01 -4.238797910e-01 4.70 -3.746638333e-02 -2.550120304e-01 -4.000585231e-01 4.72 -3.382899675e-02 -2.399330908e-01 -3.763576750e-01 4.74 -3.053420960e-02 -2.250255356e-01 -3.528275664e-01 4.76 -2.754209119e-02 -2.103140107e-01 -3.295356029e-01 4.78 -2.481827695e-02 -1.958355693e-01 -3.065651035e-01 4.80 -2.233405031e-02 -1.816380289e-01 -2.840129863e-01 4.82 -2.006528765e-02 -1.677777133e-01 -2.619863236e-01 4.84 -1.799190963e-02 -1.543165445e-01 -2.405979176e-01 4.86 -1.609725828e-02 -1.413187962e-01 -2.199611813e-01 4.88 -1.436743831e-02 -1.288476190e-01 -2.001847232e-01 4.90 -1.279067470e-02 -1.169616531e-01 -1.813670993e-01 4.92 -1.135672810e-02 -1.057119949e-01 -1.635921914e-01 4.94 -1.005639793e-02 -9.513975285e-02 -1.469256022e-01 4.96 -8.881124088e-03 -8.527436056e-02 -1.314123292e-01 4.98 -7.822712194e-03 -7.613272206e-02 -1.170758258e-01 5.00 -6.873173087e-03 -6.771917484e-02 -1.039183961e-01 5.02 -6.024608756e-03 -6.002617384e-02 -9.192274041e-02 5.04 -5.269194115e-03 -5.303554459e-02 -8.105437673e-02 5.06 -4.599215448e-03 -4.672012560e-02 -7.126462621e-02 5.08 -4.008668724e-03 -4.104561864e-02 -6.249385428e-02 5.10 -3.490174956e-03 -3.597248457e-02 -5.467470131e-02 5.12 -3.035501838e-03 -3.145775429e-02 -4.773509554e-02 5.14 -2.637363655e-03 -2.745667026e-02 -4.160090834e-02 5.16 -2.289269660e-03 -2.392407919e-02 -3.619817415e-02 5.18 -1.985412444e-03 -2.081556825e-02 -3.145485161e-02 5.20 -1.720585419e-03 -1.808835776e-02 -2.730214856e-02 5.22 -1.490120203e-03 -1.570193866e-02 -2.367543084e-02 5.24 -1.289836860e-03 -1.361849660e-02 -2.051479020e-02 5.26 -1.116001971e-03 -1.180327526e-02 -1.776532805e-02 5.28 -9.652912903e-04 -1.022485711e-02 -1.537722842e-02 5.30 -8.347550870e-04 -8.854160675e-03 -1.330570196e-02 5.32 -7.217852113e-04 -7.665308486e-03 -1.151060387e-02 5.34 -6.240835297e-04 -6.636397647e-03 -9.956244822e-03 5.36 -5.396317210e-04 -5.746200577e-03 -8.611775381e-03 5.38 -4.666625802e-04 -4.975971758e-03 -7.451511578e-03 5.40 -4.036330199e-04 -4.309551231e-03 -6.449957588e-03 5.42 -3.491989379e-04 -3.732973413e-03 -5.584885157e-03 5.44 -3.021920677e-04 -3.234150303e-03 -4.837371731e-03 5.46 -2.615988597e-04 -2.802610228e-03 -4.191231543e-03 5.48 -2.265413853e-04 -2.429278885e-03 -3.632571765e-03 5.50 -1.962602051e-04 -2.106293310e-03 -3.149438998e-03 5.52 -1.700991049e-04 -1.826842197e-03 -2.731532165e-03 5.54 -1.474915758e-04 -1.585027804e-03 -2.369961905e-03 5.56 -1.279489024e-04 -1.375745972e-03 -2.057065809e-03 5.58 -1.110497125e-04 -1.194581585e-03 -1.786218373e-03 5.60 -9.643084541e-05 -1.037717398e-03 -1.551702197e-03 5.62 -8.377939681e-05 -9.018544858e-04 -1.348580667e-03 5.64 -7.282580836e-05 -7.841429074e-04 -1.172591575e-03 5.66 -6.333787808e-05 -6.821213061e-04 -1.020055247e-03 5.68 -5.511557885e-05 -5.936643791e-04 -8.877951155e-04 5.70 -4.798658314e-05 -5.169372440e-04 -7.730690055e-04 5.72 -4.180240284e-05 -4.503558516e-04 -6.735097068e-04 5.74 -3.643506294e-05 -3.925526866e-04 -5.870735870e-04 5.76 -3.177423768e-05 -3.423470840e-04 -5.119961799e-04 5.78 -2.772478660e-05 -2.987195664e-04 -4.467538237e-04 5.80 -2.420463557e-05 -2.607896770e-04 -3.900305432e-04 5.82 -2.114295504e-05 -2.277968472e-04 -3.406894740e-04 5.84 -1.847859441e-05 -1.990838923e-04 -2.977482157e-04 5.86 -1.615873640e-05 -1.740827823e-04 -2.603575841e-04 5.88 -1.413774075e-05 -1.523023783e-04 -2.277832972e-04 5.90 -1.237615033e-05 -1.333178661e-04 -1.993901945e-04 5.92 -1.083983702e-05 -1.167616533e-04 -1.746286411e-04 5.94 -9.499267247e-06 -1.023155280e-04 -1.530228146e-04 5.96 -8.328870550e-06 -8.970390490e-05 -1.341606140e-04 5.98 -7.306496364e-06 -7.868800638e-05 -1.176849660e-04 6.00 -6.412946656e-06 -6.906084971e-05 -1.032863342e-04