# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--LAMMPS--ipr1 # composition = Ag3Pd # 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 2.104382222e+03 nan nan 0.96 1.933744301e+03 nan nan 0.98 1.775236731e+03 nan nan 1.00 1.627416105e+03 nan nan 1.02 1.489700083e+03 nan nan 1.04 1.361688616e+03 1.983768019e+03 nan 1.06 1.242498767e+03 1.840018331e+03 2.028283961e+03 1.08 1.132365712e+03 1.706455028e+03 1.880402759e+03 1.10 1.031399262e+03 1.582036164e+03 1.743508715e+03 1.12 9.386193648e+02 1.464957360e+03 1.617233922e+03 1.14 8.532321556e+02 1.354361702e+03 1.501032519e+03 1.16 7.743659584e+02 1.249612833e+03 1.393525625e+03 1.18 7.013385100e+02 1.149998635e+03 1.293703306e+03 1.20 6.337289092e+02 1.055106981e+03 1.200868716e+03 1.22 5.708588985e+02 9.650780795e+02 1.113828941e+03 1.24 5.121651846e+02 8.804261473e+02 1.031961710e+03 1.26 4.569892501e+02 8.007276690e+02 9.549388578e+02 1.28 4.050727097e+02 7.260469106e+02 8.818722609e+02 1.30 3.562382402e+02 6.565320511e+02 8.121573000e+02 1.32 3.104013547e+02 5.921155928e+02 7.455370741e+02 1.34 2.675465630e+02 5.325470545e+02 6.818607575e+02 1.36 2.275964769e+02 4.774361046e+02 6.209155507e+02 1.38 1.905075391e+02 4.264450934e+02 5.627791690e+02 1.40 1.561547240e+02 3.791919935e+02 5.076674495e+02 1.42 1.243368561e+02 3.353238189e+02 4.558005113e+02 1.44 9.488080963e+01 2.946455687e+02 4.073037843e+02 1.46 6.763319610e+01 2.571050847e+02 3.620958558e+02 1.48 5.060740261e+01 2.223789198e+02 3.199260555e+02 1.50 4.503470230e+01 1.901192870e+02 2.805707793e+02 1.52 4.188621652e+01 1.601382010e+02 2.439341925e+02 1.54 3.920742655e+01 1.322275943e+02 2.100125714e+02 1.56 3.666117412e+01 1.061919927e+02 1.785295583e+02 1.58 3.422861595e+01 8.187440252e+01 1.492060657e+02 1.60 3.191631617e+01 5.960314330e+01 1.218569310e+02 1.62 2.971976391e+01 4.883843961e+01 9.627410010e+01 1.64 2.763479118e+01 4.437044632e+01 7.229162805e+01 1.66 2.565696516e+01 4.151350974e+01 5.329989602e+01 1.68 2.378314801e+01 3.907568828e+01 4.616343459e+01 1.70 2.200942619e+01 3.677094189e+01 4.273212978e+01 1.72 2.033134830e+01 3.456030011e+01 4.019289461e+01 1.74 1.874414912e+01 3.244093958e+01 3.785595447e+01 1.76 1.724289822e+01 3.041312618e+01 3.561080825e+01 1.78 1.582229622e+01 2.847634056e+01 3.345049461e+01 1.80 1.447750926e+01 2.662844701e+01 3.137992302e+01 1.82 1.320448411e+01 2.486609688e+01 2.940061325e+01 1.84 1.199949886e+01 2.318639696e+01 2.751216054e+01 1.86 1.086041002e+01 2.158722230e+01 2.571339423e+01 1.88 9.784014036e+00 2.006548067e+01 2.400252616e+01 1.90 8.765770416e+00 1.861450391e+01 2.237724308e+01 1.92 7.804421019e+00 1.723278537e+01 2.083552403e+01 1.94 6.897518860e+00 1.591639128e+01 1.937358897e+01 1.96 6.043485694e+00 1.466223358e+01 1.798749386e+01 1.98 5.240864066e+00 1.346741641e+01 1.667318412e+01 2.00 4.487344076e+00 1.232942498e+01 1.542667674e+01 2.02 3.780669996e+00 1.124648525e+01 1.424449818e+01 2.04 3.119344970e+00 1.021735186e+01 1.312259670e+01 2.06 2.501886237e+00 9.240965950e+00 1.205748940e+01 2.08 1.926953359e+00 8.316067731e+00 1.104621272e+01 2.10 1.393425169e+00 7.441187133e+00 1.008595652e+01 2.12 9.003102109e-01 6.615448408e+00 9.174122563e+00 2.14 4.466537443e-01 5.837069761e+00 8.308321049e+00 2.16 3.146715535e-02 5.103926434e+00 7.486208806e+00 2.18 -3.463489202e-01 4.413973732e+00 6.704948913e+00 2.20 -6.881701971e-01 3.765067813e+00 5.962464786e+00 2.22 -9.958211943e-01 3.155876984e+00 5.257355581e+00 2.24 -1.271501412e+00 2.584675364e+00 4.587729085e+00 2.26 -1.517575491e+00 2.049747330e+00 3.952053720e+00 2.28 -1.736850481e+00 1.549596487e+00 3.349100411e+00 2.30 -1.932231292e+00 1.082759375e+00 2.778133742e+00 2.32 -2.106442806e+00 6.475531459e-01 2.238387041e+00 2.34 -2.261487550e+00 2.438450300e-01 1.729404587e+00 2.36 -2.398757793e+00 -1.294122674e-01 1.251014435e+00 2.38 -2.519502117e+00 -4.733005443e-01 8.031405871e-01 2.40 -2.624879212e+00 -7.889418422e-01 3.854208261e-01 2.42 -2.715926440e+00 -1.077551233e+00 -2.739756783e-03 2.44 -2.793543667e+00 -1.340664200e+00 -3.614881324e-01 2.46 -2.858537972e+00 -1.579871632e+00 -6.909774023e-01 2.48 -2.911619692e+00 -1.796567854e+00 -9.923040233e-01 2.50 -2.953468261e+00 -1.992088431e+00 -1.266893954e+00 2.52 -2.984745995e+00 -2.167785506e+00 -1.516390290e+00 2.54 -3.006091306e+00 -2.324964926e+00 -1.742459026e+00 2.56 -3.018117799e+00 -2.464822767e+00 -1.946632433e+00 2.58 -3.021431184e+00 -2.588441628e+00 -2.130287734e+00 2.60 -3.016658688e+00 -2.696793289e+00 -2.294666130e+00 2.62 -3.004490817e+00 -2.790751028e+00 -2.440931912e+00 2.64 -2.985632258e+00 -2.871071260e+00 -2.570286513e+00 2.66 -2.960982432e+00 -2.938420536e+00 -2.684165116e+00 2.68 -2.931421246e+00 -2.993406159e+00 -2.784056646e+00 2.70 -2.896443945e+00 -3.036636013e+00 -2.868940108e+00 2.72 -2.856926681e+00 -3.068712443e+00 -2.940078186e+00 2.74 -2.813533443e+00 -3.090305539e+00 -2.998441822e+00 2.76 -2.766926030e+00 -3.102182786e+00 -3.045040537e+00 2.78 -2.717755771e+00 -3.105224310e+00 -3.080917310e+00 2.80 -2.666652163e+00 -3.100411236e+00 -3.107181663e+00 2.82 -2.614207938e+00 -3.088764064e+00 -3.124997920e+00 2.84 -2.560925577e+00 -3.071221340e+00 -3.135388465e+00 2.86 -2.507160313e+00 -3.048495859e+00 -3.138984828e+00 2.88 -2.453192097e+00 -3.021221725e+00 -3.136257923e+00 2.90 -2.399275444e+00 -2.990021087e+00 -3.127638244e+00 2.92 -2.345664860e+00 -2.955502693e+00 -3.113547286e+00 2.94 -2.292619348e+00 -2.918237639e+00 -3.094403324e+00 2.96 -2.240372898e+00 -2.878734458e+00 -3.070623122e+00 2.98 -2.189039082e+00 -2.837424158e+00 -3.042623136e+00 3.00 -2.138756301e+00 -2.794659713e+00 -3.010821921e+00 3.02 -2.089746890e+00 -2.750704600e+00 -2.975643424e+00 3.04 -2.042226812e+00 -2.705773469e+00 -2.937516480e+00 3.06 -1.996428767e+00 -2.660065473e+00 -2.896867279e+00 3.08 -1.952626314e+00 -2.613751002e+00 -2.854092167e+00 3.10 -1.910332495e+00 -2.566980566e+00 -2.809478619e+00 3.12 -1.868575166e+00 -2.519893674e+00 -2.763299028e+00 3.14 -1.827581996e+00 -2.472622940e+00 -2.715894089e+00 3.16 -1.787299037e+00 -2.425233805e+00 -2.667594071e+00 3.18 -1.747682065e+00 -2.377889347e+00 -2.618725161e+00 3.20 -1.708697906e+00 -2.330822791e+00 -2.569601202e+00 3.22 -1.670324236e+00 -2.284325667e+00 -2.520510112e+00 3.24 -1.632545807e+00 -2.238761707e+00 -2.471697774e+00 3.26 -1.595349384e+00 -2.194575101e+00 -2.423354442e+00 3.28 -1.558722997e+00 -2.151984255e+00 -2.375608791e+00 3.30 -1.522655711e+00 -2.109086037e+00 -2.328532117e+00 3.32 -1.487137281e+00 -2.066441582e+00 -2.282151122e+00 3.34 -1.452148146e+00 -2.024117937e+00 -2.236464660e+00 3.36 -1.417640247e+00 -1.982190668e+00 -2.191459388e+00 3.38 -1.383605821e+00 -1.940737901e+00 -2.147121028e+00 3.40 -1.350041552e+00 -1.899836208e+00 -2.103440377e+00 3.42 -1.316943892e+00 -1.859554186e+00 -2.060414949e+00 3.44 -1.284309266e+00 -1.819945133e+00 -2.018047879e+00 3.46 -1.252134260e+00 -1.781041042e+00 -1.976345615e+00 3.48 -1.220415791e+00 -1.742849962e+00 -1.935283002e+00 3.50 -1.189151259e+00 -1.705357697e+00 -1.894802258e+00 3.52 -1.158338672e+00 -1.668533198e+00 -1.854908997e+00 3.54 -1.127976747e+00 -1.632335857e+00 -1.815603717e+00 3.56 -1.098064978e+00 -1.596722647e+00 -1.776881278e+00 3.58 -1.068603676e+00 -1.561653656e+00 -1.738732836e+00 3.60 -1.039593976e+00 -1.527095475e+00 -1.701147942e+00 3.62 -1.011037791e+00 -1.493022583e+00 -1.664116774e+00 3.64 -9.829377649e-01 -1.459416350e+00 -1.627632451e+00 3.66 -9.552971495e-01 -1.426206804e+00 -1.591693528e+00 3.68 -9.281196707e-01 -1.393358169e+00 -1.556306888e+00 3.70 -9.014093540e-01 -1.360876660e+00 -1.521491466e+00 3.72 -8.751703356e-01 -1.328768781e+00 -1.487283625e+00 3.74 -8.494066286e-01 -1.297040278e+00 -1.453745381e+00 3.76 -8.241191647e-01 -1.265696097e+00 -1.420977228e+00 3.78 -7.991951322e-01 -1.234740374e+00 -1.389137601e+00 3.80 -7.745845404e-01 -1.204176449e+00 -1.357634009e+00 3.82 -7.503017287e-01 -1.174006905e+00 -1.326434585e+00 3.84 -7.263594573e-01 -1.144233637e+00 -1.295628983e+00 3.86 -7.027687477e-01 -1.114857961e+00 -1.265230125e+00 3.88 -6.795387337e-01 -1.085880738e+00 -1.235254791e+00 3.90 -6.566765774e-01 -1.057302540e+00 -1.205722775e+00 3.92 -6.341874211e-01 -1.029123847e+00 -1.176655276e+00 3.94 -6.120744223e-01 -1.001345237e+00 -1.148072670e+00 3.96 -5.903388600e-01 -9.739676217e-01 -1.119991994e+00 3.98 -5.689802953e-01 -9.469924368e-01 -1.092424641e+00 4.00 -5.479967920e-01 -9.204218790e-01 -1.065374855e+00 4.02 -5.273852352e-01 -8.942590467e-01 -1.038839358e+00 4.04 -5.071416498e-01 -8.685081074e-01 -1.012808182e+00 4.06 -4.872615924e-01 -8.431743578e-01 -9.872664732e-01 4.08 -4.677405571e-01 -8.182642528e-01 -9.621967148e-01 4.10 -4.485743893e-01 -7.937853302e-01 -9.375809357e-01 4.12 -4.297597056e-01 -7.697460573e-01 -9.134024724e-01 4.14 -4.112942533e-01 -7.461555889e-01 -8.896471638e-01 4.16 -3.931772468e-01 -7.230234037e-01 -8.663038955e-01 4.18 -3.754096438e-01 -7.003588946e-01 -8.433647061e-01 4.20 -3.579943147e-01 -6.781706860e-01 -8.208242636e-01 4.22 -3.409361348e-01 -6.564182253e-01 -7.986076353e-01 4.24 -3.242419748e-01 -6.350625222e-01 -7.766467106e-01 4.26 -3.079205772e-01 -6.141136337e-01 -7.549516422e-01 4.28 -2.919823457e-01 -5.935785675e-01 -7.335322585e-01 4.30 -2.764390609e-01 -5.734611023e-01 -7.123974381e-01 4.32 -2.613035307e-01 -5.537616109e-01 -6.915549305e-01 4.34 -2.465892059e-01 -5.344771487e-01 -6.710113114e-01 4.36 -2.323098077e-01 -5.156018504e-01 -6.507719254e-01 4.38 -2.184789825e-01 -4.971276748e-01 -6.308408848e-01 4.40 -2.051100025e-01 -4.790455186e-01 -6.112210797e-01 4.42 -1.922155094e-01 -4.613466649e-01 -5.919142596e-01 4.44 -1.798072922e-01 -4.440245575e-01 -5.729211151e-01 4.46 -1.678960651e-01 -4.270767315e-01 -5.542413971e-01 4.48 -1.564912090e-01 -4.105066768e-01 -5.358740999e-01 4.50 -1.456004921e-01 -3.943253327e-01 -5.178176331e-01 4.52 -1.352299023e-01 -3.785517032e-01 -5.000700391e-01 4.54 -1.253831977e-01 -3.632118960e-01 -4.826292208e-01 4.56 -1.160623157e-01 -3.483356778e-01 -4.654931724e-01 4.58 -1.072683335e-01 -3.339493400e-01 -4.486602265e-01 4.60 -9.900314534e-02 -3.200633540e-01 -4.321292868e-01 4.62 -9.127188362e-02 -3.066529574e-01 -4.159000250e-01 4.64 -8.408570858e-02 -2.936120070e-01 -3.999730676e-01 4.66 -7.746024887e-02 -2.808311365e-01 -3.843501453e-01 4.68 -7.142204499e-02 -2.683424552e-01 -3.690341794e-01 4.70 -6.600982691e-02 -2.561520464e-01 -3.540293117e-01 4.72 -6.125836908e-02 -2.442682273e-01 -3.393408759e-01 4.74 -5.718204883e-02 -2.327014074e-01 -3.249752871e-01 4.76 -5.374783724e-02 -2.214636669e-01 -3.109398510e-01 4.78 -5.083297007e-02 -2.105680993e-01 -2.972425015e-01 4.80 -4.810835679e-02 -2.000279324e-01 -2.838914664e-01 4.82 -4.550798611e-02 -1.898554791e-01 -2.708948599e-01 4.84 -4.304611179e-02 -1.800610203e-01 -2.582602187e-01 4.86 -4.071065986e-02 -1.706517472e-01 -2.459940030e-01 4.88 -3.849203361e-02 -1.616309135e-01 -2.341010882e-01 4.90 -3.638271296e-02 -1.529972659e-01 -2.225842693e-01 4.92 -3.437675145e-02 -1.447448119e-01 -2.114438166e-01 4.94 -3.246876694e-02 -1.368630195e-01 -2.006771165e-01 4.96 -3.065349464e-02 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