# 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 = Ag3W # 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 3.906410526e+02 nan nan 1.16 3.588631240e+02 nan nan 1.18 3.297417730e+02 nan nan 1.20 3.030399745e+02 nan nan 1.22 2.785409534e+02 nan nan 1.24 2.560474089e+02 nan nan 1.26 2.353810957e+02 nan nan 1.28 2.163814981e+02 3.374009531e+02 3.874545049e+02 1.30 1.989040367e+02 3.121661247e+02 3.591280411e+02 1.32 1.828186827e+02 2.888475384e+02 3.329277528e+02 1.34 1.680086366e+02 2.672921985e+02 3.086802593e+02 1.36 1.543685331e+02 2.473593403e+02 2.862273620e+02 1.38 1.418025857e+02 2.289192306e+02 2.654247155e+02 1.40 1.302233437e+02 2.118523522e+02 2.461404150e+02 1.42 1.195510061e+02 1.960487798e+02 2.282542398e+02 1.44 1.097127351e+02 1.814075696e+02 2.116573409e+02 1.46 1.006417490e+02 1.678361451e+02 1.962515567e+02 1.48 9.227646921e+01 1.552499162e+02 1.819481057e+02 1.50 8.456000657e+01 1.435721492e+02 1.686660656e+02 1.52 7.743999116e+01 1.327336873e+02 1.563310437e+02 1.54 7.086851996e+01 1.226722258e+02 1.448741978e+02 1.56 6.480246345e+01 1.133313113e+02 1.342315710e+02 1.58 5.920261977e+01 1.046593927e+02 1.243436311e+02 1.60 5.403272078e+01 9.660904260e+01 1.151549576e+02 1.62 4.926001209e+01 8.913630561e+01 1.066140485e+02 1.64 4.485806786e+01 8.220015156e+01 9.867315401e+01 1.66 4.079928604e+01 7.576208006e+01 9.128804971e+01 1.68 3.705745150e+01 6.978593812e+01 8.441778775e+01 1.70 3.360861165e+01 6.423840232e+01 7.802452044e+01 1.72 3.043085812e+01 5.908831812e+01 7.207339954e+01 1.74 2.750406760e+01 5.430657830e+01 6.653276582e+01 1.76 2.480965928e+01 4.986676961e+01 6.137396391e+01 1.78 2.233040612e+01 4.574617345e+01 5.657021738e+01 1.80 2.005029666e+01 4.192429675e+01 5.209698657e+01 1.82 1.795442210e+01 3.837978537e+01 4.793205288e+01 1.84 1.602887355e+01 3.509287882e+01 4.405795447e+01 1.86 1.426065785e+01 3.204548476e+01 4.045600162e+01 1.88 1.263764142e+01 2.922102233e+01 3.710776150e+01 1.90 1.114850941e+01 2.660421332e+01 3.399586187e+01 1.92 9.782714538e+00 2.418085663e+01 3.110396849e+01 1.94 8.530408684e+00 2.193763136e+01 2.841681629e+01 1.96 7.382378235e+00 1.986196623e+01 2.592020672e+01 1.98 6.330011618e+00 1.794198404e+01 2.360092919e+01 2.00 5.365307777e+00 1.616649623e+01 2.144663821e+01 2.02 4.480909204e+00 1.452500658e+01 1.944575179e+01 2.04 3.670130402e+00 1.300769165e+01 1.758741297e+01 2.06 2.926956525e+00 1.160534855e+01 1.586151107e+01 2.08 2.246104663e+00 1.030932461e+01 1.425872673e+01 2.10 1.622700873e+00 9.111457718e+00 1.277055889e+01 2.12 1.052191459e+00 8.004052432e+00 1.138930555e+01 2.14 5.304471006e-01 6.979898883e+00 1.010799276e+01 2.16 5.367932310e-02 6.032321223e+00 8.920264244e+00 2.18 -3.816135833e-01 5.155230671e+00 7.820253647e+00 2.20 -7.786202136e-01 4.343158346e+00 6.802462948e+00 2.22 -1.139941599e+00 3.591252177e+00 5.861667515e+00 2.24 -1.467926522e+00 2.895235152e+00 4.992861764e+00 2.26 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-3.681896737e+00 -3.304714657e+00 -2.862203163e+00 2.64 -3.673859750e+00 -3.395806285e+00 -3.005649678e+00 2.66 -3.659296101e+00 -3.473824688e+00 -3.133477252e+00 2.68 -3.638765654e+00 -3.539842053e+00 -3.246603928e+00 2.70 -3.613040371e+00 -3.594804979e+00 -3.345886236e+00 2.72 -3.582649269e+00 -3.639537352e+00 -3.432132033e+00 2.74 -3.547602831e+00 -3.674754126e+00 -3.506112088e+00 2.76 -3.507953929e+00 -3.701081340e+00 -3.568570886e+00 2.78 -3.463782767e+00 -3.719077158e+00 -3.620237051e+00 2.80 -3.415181941e+00 -3.729250254e+00 -3.661833275e+00 2.82 -3.362245302e+00 -3.732074006e+00 -3.694084836e+00 2.84 -3.305070255e+00 -3.727996752e+00 -3.717724900e+00 2.86 -3.243781505e+00 -3.717470369e+00 -3.733494224e+00 2.88 -3.178499421e+00 -3.701057878e+00 -3.742133181e+00 2.90 -3.109338004e+00 -3.678990839e+00 -3.744365553e+00 2.92 -3.036417172e+00 -3.651454388e+00 -3.740876101e+00 2.94 -2.959877460e+00 -3.618676886e+00 -3.732286415e+00 2.96 -2.879895923e+00 -3.580966384e+00 -3.719134742e+00 2.98 -2.796701957e+00 -3.538845736e+00 -3.701864599e+00 3.00 -2.710591553e+00 -3.492578061e+00 -3.680824168e+00 3.02 -2.621938269e+00 -3.442441429e+00 -3.656434230e+00 3.04 -2.531199026e+00 -3.388780388e+00 -3.629011071e+00 3.06 -2.438912902e+00 -3.331984764e+00 -3.598392667e+00 3.08 -2.345691669e+00 -3.272464696e+00 -3.564430807e+00 3.10 -2.252201752e+00 -3.210624330e+00 -3.527005628e+00 3.12 -2.159138671e+00 -3.146839048e+00 -3.486026502e+00 3.14 -2.067196356e+00 -3.081450499e+00 -3.441431210e+00 3.16 -1.977034768e+00 -3.014744930e+00 -3.393183938e+00 3.18 -1.889249683e+00 -2.946939136e+00 -3.341279062e+00 3.20 -1.804348109e+00 -2.878184855e+00 -3.285758691e+00 3.22 -1.722731802e+00 -2.808579095e+00 -3.226688033e+00 3.24 -1.644689928e+00 -2.738178074e+00 -3.164147686e+00 3.26 -1.570400507e+00 -2.667012722e+00 -3.098235592e+00 3.28 -1.499939136e+00 -2.595104174e+00 -3.029070579e+00 3.30 -1.433292830e+00 -2.522478190e+00 -2.956797454e+00 3.32 -1.370376681e+00 -2.449177881e+00 -2.881593333e+00 3.34 -1.311051227e+00 -2.375274293e+00 -2.803674616e+00 3.36 -1.255138939e+00 -2.300874517e+00 -2.723303769e+00 3.38 -1.202438739e+00 -2.226126928e+00 -2.640794881e+00 3.40 -1.152738010e+00 -2.151223206e+00 -2.556516872e+00 3.42 -1.105821960e+00 -2.076396839e+00 -2.470893311e+00 3.44 -1.061480488e+00 -2.001917986e+00 -2.384398002e+00 3.46 -1.019512859e+00 -1.928084925e+00 -2.297545931e+00 3.48 -9.797306001e-01 -1.855212611e+00 -2.210879674e+00 3.50 -9.419589960e-01 -1.783619311e+00 -2.124951980e+00 3.52 -9.060375649e-01 -1.713612493e+00 -2.040305804e+00 3.54 -8.718197948e-01 -1.645475323e+00 -1.957453491e+00 3.56 -8.391724188e-01 -1.579454997e+00 -1.876857092e+00 3.58 -8.079743945e-01 -1.515753904e+00 -1.798911701e+00 3.60 -7.781157365e-01 -1.454524185e+00 -1.723933383e+00 3.62 -7.494962996e-01 -1.395865836e+00 -1.652152658e+00 3.64 -7.220245821e-01 -1.339828064e+00 -1.583713801e+00 3.66 -6.956165987e-01 -1.286413323e+00 -1.518679418e+00 3.68 -6.701948527e-01 -1.235583259e+00 -1.457039253e+00 3.70 -6.456874339e-01 -1.187265791e+00 -1.398721782e+00 3.72 -6.220272543e-01 -1.141362576e+00 -1.343607161e+00 3.74 -5.991514359e-01 -1.097756298e+00 -1.291540224e+00 3.76 -5.770008570e-01 -1.056317337e+00 -1.242342563e+00 3.78 -5.555198654e-01 -1.016909570e+00 -1.195823078e+00 3.80 -5.346561629e-01 -9.793951668e-01 -1.151786675e+00 3.82 -5.143608666e-01 -9.436383827e-01 -1.110041076e+00 3.84 -4.945887470e-01 -9.095083785e-01 -1.070401839e+00 3.86 -4.752986425e-01 -8.768811850e-01 -1.032695798e+00 3.88 -4.564540389e-01 -8.456409250e-01 -9.967631718e-01 3.90 -4.380237906e-01 -8.156804258e-01 -9.624586011e-01 3.92 -4.199829393e-01 -7.869013490e-01 -9.296513422e-01 3.94 -4.023135636e-01 -7.592139675e-01 -8.982248537e-01 3.96 -3.850055450e-01 -7.325366851e-01 -8.680759344e-01 3.98 -3.680571316e-01 -7.067954227e-01 -8.391136044e-01 4.00 -3.514751318e-01 -6.819229388e-01 -8.112578330e-01 4.02 -3.352745861e-01 -6.578581662e-01 -7.844382228e-01 4.04 -3.194777907e-01 -6.345456211e-01 -7.585927238e-01 4.06 -3.041126189e-01 -6.119349293e-01 -7.336664272e-01 4.08 -2.892101902e-01 -5.899804997e-01 -7.096104710e-01 4.10 -2.748020576e-01 -5.686413585e-01 -6.863810720e-01 4.12 -2.609171966e-01 -5.478811661e-01 -6.639386881e-01 4.14 -2.475791487e-01 -5.276683509e-01 -6.422473055e-01 4.16 -2.348036737e-01 -5.079763985e-01 -6.212738389e-01 4.18 -2.225972016e-01 -4.887841934e-01 -6.009876336e-01 4.20 -2.109562448e-01 -4.700763620e-01 -5.813600527e-01 4.22 -1.998677992e-01 -4.518435283e-01 -5.623641365e-01 4.24 -1.893105817e-01 -4.340823836e-01 -5.439743208e-01 4.26 -1.792569278e-01 -4.167954727e-01 -5.261662031e-01 4.28 -1.696750507e-01 -3.999906166e-01 -5.089163456e-01 4.30 -1.605314135e-01 -3.836799301e-01 -4.922021092e-01 4.32 -1.517929840e-01 -3.678784424e-01 -4.760015095e-01 4.34 -1.434291990e-01 -3.526023978e-01 -4.602930917e-01 4.36 -1.354135153e-01 -3.378673683e-01 -4.450558196e-01 4.38 -1.277244774e-01 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-3.979882497e-02 -1.479803396e-01 -2.178259738e-01 4.76 -3.728290059e-02 -1.408579398e-01 -2.077396020e-01 4.78 -3.491182969e-02 -1.338392529e-01 -1.977230253e-01 4.80 -3.266889019e-02 -1.269120860e-01 -1.877704519e-01 4.82 -3.053922718e-02 -1.200683843e-01 -1.778805121e-01 4.84 -2.851005928e-02 -1.133044851e-01 -1.680568644e-01 4.86 -2.657079042e-02 -1.066213262e-01 -1.583086966e-01 4.88 -2.471303704e-02 -1.000245405e-01 -1.486510560e-01 4.90 -2.293057802e-02 -9.352440291e-02 -1.391049394e-01 4.92 -2.121913288e-02 -8.713558744e-02 -1.296970811e-01 4.94 -1.957616835e-02 -8.087670147e-02 -1.204593901e-01 4.96 -1.800103604e-02 -7.476958392e-02 -1.114280185e-01 4.98 -1.649438928e-02 -6.883838018e-02 -1.026420753e-01 5.00 -1.505782361e-02 -6.310842952e-02 -9.414204507e-02 5.02 -1.369350935e-02 -5.760503013e-02 -8.596800858e-02 5.04 -1.240382368e-02 -5.235216844e-02 -7.815779596e-02 5.06 -1.119100585e-02 -4.737130995e-02 -7.074522036e-02 5.08 -1.005685705e-02 -4.268023684e-02 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-3.924293602e-03 -5.874922341e-03 5.46 -7.863052002e-04 -3.389364926e-03 -5.074119970e-03 5.48 -6.788632511e-04 -2.926523113e-03 -4.381221464e-03 5.50 -5.860086038e-04 -2.526433444e-03 -3.782258972e-03 5.52 -5.058193946e-04 -2.180853240e-03 -3.264896831e-03 5.54 -4.366078333e-04 -1.882536693e-03 -2.818289196e-03 5.56 -3.768971200e-04 -1.625138680e-03 -2.432940239e-03 5.58 -3.253991101e-04 -1.403120929e-03 -2.100558539e-03 5.60 -2.809932068e-04 -1.211662823e-03 -1.813927648e-03 5.62 -2.427067677e-04 -1.046578256e-03 -1.566780789e-03 5.64 -2.096971749e-04 -9.042392996e-04 -1.353686683e-03 5.66 -1.812356149e-04 -7.815069763e-04 -1.169945972e-03 5.68 -1.566925388e-04 -6.756690863e-04 -1.011498182e-03 5.70 -1.355247309e-04 -5.843848225e-04 -8.748388341e-04 5.72 -1.172638788e-04 -5.056357557e-04 -7.569460745e-04 5.74 -1.015065246e-04 -4.376826980e-04 -6.552161045e-04 5.76 -8.790526849e-05 -3.790279110e-04 -5.674066064e-04 5.78 -7.616109805e-05 -3.283821255e-04 -4.915873693e-04 5.80 -6.601671869e-05 -2.846358500e-04 -4.260973372e-04 5.82 -5.725077030e-05 -2.468344796e-04 -3.695073421e-04 5.84 -4.967282273e-05 -2.141567467e-04 -3.205878431e-04 5.86 -4.311905301e-05 -1.858961024e-04 -2.782810505e-04 5.88 -3.744851700e-05 -1.614446521e-04 -2.416768757e-04 5.90 -3.253993748e-05 -1.402793137e-04 -2.099922072e-04 5.92 -2.828893995e-05 -1.219499029e-04 -1.825530720e-04 5.94 -2.460567551e-05 -1.060688844e-04 -1.587792921e-04 5.96 -2.141277783e-05 -9.230256321e-05 -1.381712954e-04 5.98 -1.864360815e-05 -8.036351620e-05 -1.202987854e-04 6.00 -1.624074812e-05 -7.000409215e-05 -1.047910091e-04