# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = Ag3Zr # 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 6.732250788e+02 nan nan 0.92 6.297078215e+02 nan nan 0.94 5.888973911e+02 nan nan 0.96 5.506288474e+02 nan nan 0.98 5.147471651e+02 5.921842580e+02 nan 1.00 4.811066437e+02 5.572933088e+02 nan 1.02 4.495703528e+02 5.243552210e+02 6.283760211e+02 1.04 4.200096102e+02 4.932644715e+02 5.924925233e+02 1.06 3.923034902e+02 4.639210640e+02 5.585470563e+02 1.08 3.663383609e+02 4.362302492e+02 5.264391611e+02 1.10 3.420074501e+02 4.101022579e+02 4.960733898e+02 1.12 3.192104348e+02 3.854520475e+02 4.673590661e+02 1.14 2.978530566e+02 3.621990612e+02 4.402100564e+02 1.16 2.778467593e+02 3.402669985e+02 4.145445513e+02 1.18 2.591083477e+02 3.195835973e+02 3.902848572e+02 1.20 2.415596669e+02 3.000804270e+02 3.673571974e+02 1.22 2.251273006e+02 2.816926912e+02 3.456915224e+02 1.24 2.097422871e+02 2.643590409e+02 3.252213292e+02 1.26 1.953398524e+02 2.480213963e+02 3.058834883e+02 1.28 1.818591590e+02 2.326247784e+02 2.876180794e+02 1.30 1.692430694e+02 2.181171480e+02 2.703682343e+02 1.32 1.574379239e+02 2.044492534e+02 2.540799878e+02 1.34 1.463933319e+02 1.915744855e+02 2.387021345e+02 1.36 1.360619751e+02 1.794487404e+02 2.241860936e+02 1.38 1.263994222e+02 1.680302886e+02 2.104857789e+02 1.40 1.173639558e+02 1.572796511e+02 1.975574757e+02 1.42 1.089164084e+02 1.471594815e+02 1.853597234e+02 1.44 1.010200085e+02 1.376344544e+02 1.738532034e+02 1.46 9.364023641e+01 1.286711591e+02 1.630006327e+02 1.48 8.674468803e+01 1.202379991e+02 1.527666622e+02 1.50 8.030294707e+01 1.123050963e+02 1.431177800e+02 1.52 7.428646483e+01 1.048442004e+02 1.340222198e+02 1.54 6.866844724e+01 9.782860283e+01 1.254498730e+02 1.56 6.342374853e+01 9.123305520e+01 1.173722054e+02 1.58 5.852877143e+01 8.503369170e+01 1.097621777e+02 1.60 5.396137321e+01 7.920795571e+01 1.025941706e+02 1.62 4.970077741e+01 7.373453008e+01 9.584391204e+01 1.64 4.572749091e+01 6.859327113e+01 8.948840988e+01 1.66 4.202322588e+01 6.376514588e+01 8.350588615e+01 1.68 3.857082650e+01 5.923217271e+01 7.787571563e+01 1.70 3.535420004e+01 5.497736503e+01 7.257836692e+01 1.72 3.235825211e+01 5.098467779e+01 6.759534655e+01 1.74 2.956882578e+01 4.723895699e+01 6.290914588e+01 1.76 2.697264442e+01 4.372589161e+01 5.850319054e+01 1.78 2.455725790e+01 4.043196815e+01 5.436179233e+01 1.80 2.231099211e+01 3.734442762e+01 5.047010374e+01 1.82 2.022290148e+01 3.445122459e+01 4.681407438e+01 1.84 1.828272439e+01 3.174098859e+01 4.338040984e+01 1.86 1.648084128e+01 2.920298749e+01 4.015653256e+01 1.88 1.480823524e+01 2.682709268e+01 3.713054450e+01 1.90 1.325645508e+01 2.460374628e+01 3.429119188e+01 1.92 1.181758052e+01 2.252392999e+01 3.162783156e+01 1.94 1.048418960e+01 2.057913554e+01 2.913039914e+01 1.96 9.249327958e+00 1.876133683e+01 2.678937871e+01 1.98 8.106480094e+00 1.706296346e+01 2.459577406e+01 2.00 7.049542247e+00 1.547687570e+01 2.254108137e+01 2.02 6.072797028e+00 1.399634079e+01 2.061726331e+01 2.04 5.170889527e+00 1.261501052e+01 1.881672443e+01 2.06 4.338804911e+00 1.132689998e+01 1.713228778e+01 2.08 3.571847367e+00 1.012636750e+01 1.555717282e+01 2.10 2.865620332e+00 9.008095594e+00 1.408497428e+01 2.12 2.216007937e+00 7.967072989e+00 1.270964228e+01 2.14 1.619157568e+00 6.998577620e+00 1.142546339e+01 2.16 1.071463507e+00 6.098160493e+00 1.022704265e+01 2.18 5.695515601e-01 5.261630478e+00 9.109286536e+00 2.20 1.102646374e-01 4.485039888e+00 8.067386815e+00 2.22 -3.093507979e-01 3.764670845e+00 7.096805205e+00 2.24 -6.920574334e-01 3.097022411e+00 6.193258873e+00 2.26 -1.040439050e+00 2.478798387e+00 5.352706632e+00 2.28 -1.356911721e+00 1.906895790e+00 4.571335889e+00 2.30 -1.643734323e+00 1.378393972e+00 3.845550280e+00 2.32 -1.903018407e+00 8.905443050e-01 3.171957914e+00 2.34 -2.136737460e+00 4.407604576e-01 2.547360267e+00 2.36 -2.346735591e+00 2.660919538e-02 1.968741645e+00 2.38 -2.534735691e+00 -3.541983248e-01 1.433259184e+00 2.40 -2.702347082e+00 -7.038147589e-01 9.382334101e-01 2.42 -2.851072697e+00 -1.024264347e+00 4.811392654e-01 2.44 -2.982315816e+00 -1.317450251e+00 5.959761801e-02 2.46 -3.097386387e+00 -1.585161472e+00 -3.286327639e-01 2.48 -3.197506949e+00 -1.829079410e+00 -6.856628402e-01 2.50 -3.283818201e+00 -2.050784041e+00 -1.013480502e+00 2.52 -3.357384208e+00 -2.251759751e+00 -1.313957392e+00 2.54 -3.419197300e+00 -2.433400858e+00 -1.588855377e+00 2.56 -3.470182657e+00 -2.597016815e+00 -1.839832655e+00 2.58 -3.511202610e+00 -2.743837121e+00 -2.068449546e+00 2.60 -3.543060676e+00 -2.875015971e+00 -2.276173977e+00 2.62 -3.566505343e+00 -2.991636628e+00 -2.464386655e+00 2.64 -3.582233612e+00 -3.094715562e+00 -2.634385982e+00 2.66 -3.590894323e+00 -3.185206350e+00 -2.787392691e+00 2.68 -3.593091274e+00 -3.264003357e+00 -2.924554234e+00 2.70 -3.589386139e+00 -3.331945214e+00 -3.046948934e+00 2.72 -3.580301207e+00 -3.389818092e+00 -3.155589915e+00 2.74 -3.566321948e+00 -3.438358793e+00 -3.251428808e+00 2.76 -3.547899418e+00 -3.478257672e+00 -3.335359268e+00 2.78 -3.525452512e+00 -3.510161383e+00 -3.408220285e+00 2.80 -3.499370072e+00 -3.534675473e+00 -3.470799325e+00 2.82 -3.470012869e+00 -3.552366832e+00 -3.523835296e+00 2.84 -3.437715454e+00 -3.563765992e+00 -3.568021343e+00 2.86 -3.402787888e+00 -3.569369310e+00 -3.604007500e+00 2.88 -3.365517378e+00 -3.569641011e+00 -3.632403193e+00 2.90 -3.326169786e+00 -3.565015119e+00 -3.653779592e+00 2.92 -3.284991064e+00 -3.555897283e+00 -3.668671856e+00 2.94 -3.242208582e+00 -3.542666485e+00 -3.677581230e+00 2.96 -3.198032380e+00 -3.525676660e+00 -3.680977038e+00 2.98 -3.152656335e+00 -3.505258219e+00 -3.679298563e+00 3.00 -3.106259256e+00 -3.481719479e+00 -3.672956818e+00 3.02 -3.059005907e+00 -3.455348019e+00 -3.662336223e+00 3.04 -3.011047967e+00 -3.426411945e+00 -3.647796181e+00 3.06 -2.962524924e+00 -3.395161092e+00 -3.629672572e+00 3.08 -2.913564912e+00 -3.361828150e+00 -3.608279157e+00 3.10 -2.864285500e+00 -3.326629726e+00 -3.583908908e+00 3.12 -2.814794419e+00 -3.289767342e+00 -3.556835254e+00 3.14 -2.765190252e+00 -3.251428373e+00 -3.527313266e+00 3.16 -2.715563075e+00 -3.211786934e+00 -3.495580770e+00 3.18 -2.665995052e+00 -3.171004712e+00 -3.461859392e+00 3.20 -2.616560999e+00 -3.129231748e+00 -3.426355549e+00 3.22 -2.567328903e+00 -3.086607170e+00 -3.389261383e+00 3.24 -2.518360415e+00 -3.043259892e+00 -3.350755637e+00 3.26 -2.469711304e+00 -2.999309257e+00 -3.311004483e+00 3.28 -2.421431884e+00 -2.954865658e+00 -3.270162301e+00 3.30 -2.373567409e+00 -2.910031102e+00 -3.228372413e+00 3.32 -2.326158451e+00 -2.864899761e+00 -3.185767778e+00 3.34 -2.279241239e+00 -2.819558474e+00 -3.142471637e+00 3.36 -2.232847989e+00 -2.774087225e+00 -3.098598130e+00 3.38 -2.187007200e+00 -2.728559592e+00 -3.054252873e+00 3.40 -2.141743941e+00 -2.683043169e+00 -3.009533496e+00 3.42 -2.097080110e+00 -2.637599959e+00 -2.964530159e+00 3.44 -2.053034678e+00 -2.592286746e+00 -2.919326031e+00 3.46 -2.009623919e+00 -2.547155444e+00 -2.873997739e+00 3.48 -1.966861623e+00 -2.502253423e+00 -2.828615795e+00 3.50 -1.924759291e+00 -2.457623818e+00 -2.783244996e+00 3.52 -1.883326321e+00 -2.413305813e+00 -2.737944797e+00 3.54 -1.842570177e+00 -2.369334914e+00 -2.692769665e+00 3.56 -1.802496554e+00 -2.325743200e+00 -2.647769411e+00 3.58 -1.763109521e+00 -2.282559563e+00 -2.602989499e+00 3.60 -1.724411659e+00 -2.239809928e+00 -2.558471341e+00 3.62 -1.686404193e+00 -2.197517462e+00 -2.514252569e+00 3.64 -1.649087109e+00 -2.155702771e+00 -2.470367294e+00 3.66 -1.612459264e+00 -2.114384079e+00 -2.426846347e+00 3.68 -1.576518489e+00 -2.073577404e+00 -2.383717506e+00 3.70 -1.541261685e+00 -2.033296716e+00 -2.341005709e+00 3.72 -1.506684912e+00 -1.993554087e+00 -2.298733253e+00 3.74 -1.472783467e+00 -1.954359830e+00 -2.256919978e+00 3.76 -1.439551965e+00 -1.915722636e+00 -2.215583449e+00 3.78 -1.406984408e+00 -1.877649691e+00 -2.174739114e+00 3.80 -1.375074247e+00 -1.840146792e+00 -2.134400461e+00 3.82 -1.343814445e+00 -1.803218457e+00 -2.094579160e+00 3.84 -1.313197533e+00 -1.766868025e+00 -2.055285198e+00 3.86 -1.283215658e+00 -1.731097745e+00 -2.016527006e+00 3.88 -1.253860634e+00 -1.695908869e+00 -1.978311578e+00 3.90 -1.225123984e+00 -1.661301734e+00 -1.940644579e+00 3.92 -1.196996982e+00 -1.627275831e+00 -1.903530447e+00 3.94 -1.169470687e+00 -1.593829885e+00 -1.866972493e+00 3.96 -1.142535979e+00 -1.560961917e+00 -1.830972991e+00 3.98 -1.116183590e+00 -1.528669303e+00 -1.795533256e+00 4.00 -1.090404135e+00 -1.496948839e+00 -1.760653730e+00 4.02 -1.064911258e+00 -1.465796786e+00 -1.726334051e+00 4.04 -1.036094394e+00 -1.435208928e+00 -1.692573121e+00 4.06 -9.986292998e-01 -1.405180611e+00 -1.659369173e+00 4.08 -9.637459697e-01 -1.375706794e+00 -1.626719826e+00 4.10 -9.422643349e-01 -1.346782079e+00 -1.594622143e+00 4.12 -9.214807669e-01 -1.318400760e+00 -1.563072681e+00 4.14 -9.011594740e-01 -1.290556847e+00 -1.532067541e+00 4.16 -8.812914177e-01 -1.263244104e+00 -1.501602408e+00 4.18 -8.618676196e-01 -1.236456079e+00 -1.471672597e+00 4.20 -8.428791724e-01 -1.210186129e+00 -1.442273089e+00 4.22 -8.243172487e-01 -1.184427444e+00 -1.413398569e+00 4.24 -8.061731101e-01 -1.159173076e+00 -1.385043453e+00 4.26 -7.884381136e-01 -1.134181739e+00 -1.357201926e+00 4.28 -7.711037193e-01 -1.104681036e+00 -1.329867965e+00 4.30 -7.541614952e-01 -1.056545900e+00 -1.303035370e+00 4.32 -7.376031228e-01 -9.794927073e-01 -1.276697782e+00 4.34 -7.214204010e-01 -9.400917150e-01 -1.250848712e+00 4.36 -7.056052502e-01 -9.199095623e-01 -1.225481556e+00 4.38 -6.901497151e-01 -9.001392245e-01 -1.200589620e+00 4.40 -6.740585530e-01 -8.807737608e-01 -1.176166130e+00 4.42 -6.393482810e-01 -8.618062464e-01 -1.152204257e+00 4.44 -5.300113180e-01 -8.432297811e-01 -1.128697124e+00 4.46 -2.690367081e-01 -8.250374971e-01 -1.105637824e+00 4.48 -1.407069771e-01 -8.072225663e-01 -1.083019433e+00 4.50 -1.367273502e-01 -7.897782064e-01 -1.060835017e+00 4.52 -1.328592519e-01 -7.726976874e-01 -1.039077648e+00 4.54 -1.290996509e-01 -7.559743361e-01 -1.017740411e+00 4.56 -1.254455875e-01 -7.396015416e-01 -9.968164098e-01 4.58 -1.218941732e-01 -7.235727588e-01 -9.762987814e-01 4.60 -1.184425897e-01 -7.078815129e-01 -9.561806975e-01 4.62 -1.150880882e-01 -6.925214021e-01 -9.364553736e-01 4.64 -1.118279883e-01 -6.774861010e-01 -9.171160743e-01 4.66 -1.086596772e-01 -6.627693630e-01 -8.981561184e-01 4.68 -1.055806084e-01 -6.483650226e-01 -8.795688842e-01 4.70 -1.025883008e-01 -6.342669974e-01 -8.613478128e-01 4.72 -9.968033748e-02 -6.204692894e-01 -8.434864128e-01 4.74 -9.685436470e-02 -6.069659869e-01 -8.259782628e-01 4.76 -9.410809048e-02 -5.937512652e-01 -8.088170149e-01 4.78 -9.143928357e-02 -5.808193877e-01 -7.919963970e-01 4.80 -8.884577215e-02 -5.681647064e-01 -7.755102148e-01 4.82 -8.632544263e-02 -5.557816627e-01 -7.593523541e-01 4.84 -8.387623843e-02 -5.436647876e-01 -7.435167821e-01 4.86 -8.149615869e-02 -5.318087015e-01 -7.279975488e-01 4.88 -7.918325705e-02 -5.202081147e-01 -7.127887883e-01 4.90 -7.693564042e-02 -5.088578273e-01 -6.978847191e-01 4.92 -7.455609131e-02 -4.967381787e-01 -6.819943397e-01 4.94 -6.960776536e-02 -4.709990570e-01 -6.487474842e-01 4.96 -5.613991005e-02 -3.973058053e-01 -5.530528084e-01 4.98 -2.841668283e-02 -2.248536790e-01 -3.208302912e-01 5.00 -2.244798228e-23 -2.848415612e-22 -2.963493787e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 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0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00