# 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 = FePb3 # 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 4.513688156e+02 nan nan 1.16 4.181115698e+02 nan nan 1.18 3.874324063e+02 nan nan 1.20 3.591085968e+02 nan nan 1.22 3.329444797e+02 nan nan 1.24 3.087660810e+02 nan nan 1.26 2.864150284e+02 nan nan 1.28 2.657436364e+02 3.961618342e+02 4.484855084e+02 1.30 2.466128442e+02 3.694288081e+02 4.188394597e+02 1.32 2.288928761e+02 3.445971072e+02 3.912866872e+02 1.34 2.124649122e+02 3.215201462e+02 3.656572309e+02 1.36 1.972219243e+02 3.000601453e+02 3.417950574e+02 1.38 1.830684043e+02 2.800889066e+02 3.195588284e+02 1.40 1.699193562e+02 2.614889709e+02 2.988217101e+02 1.42 1.576989445e+02 2.441539493e+02 2.794703625e+02 1.44 1.463388737e+02 2.279878149e+02 2.614033933e+02 1.46 1.357767135e+02 2.129036232e+02 2.445294592e+02 1.48 1.259544398e+02 1.988221990e+02 2.287652471e+02 1.50 1.168175520e+02 1.856710009e+02 2.140336231e+02 1.52 1.083149168e+02 1.733831241e+02 2.002623064e+02 1.54 1.003989704e+02 1.618964994e+02 1.873833386e+02 1.56 9.302586486e+01 1.511534148e+02 1.753331157e+02 1.58 8.616637623e+01 1.411003956e+02 1.640526194e+02 1.60 7.979877894e+01 1.316882793e+02 1.534874943e+02 1.62 7.388609123e+01 1.228723057e+02 1.435878150e+02 1.64 6.839403537e+01 1.146120350e+02 1.343076754e+02 1.66 6.329104767e+01 1.068710701e+02 1.256047447e+02 1.68 5.854810916e+01 9.961657349e+01 1.174398667e+02 1.70 5.413855828e+01 9.281868806e+01 1.097767390e+02 1.72 5.003794849e+01 8.645857937e+01 1.025816179e+02 1.74 4.622394567e+01 8.052418767e+01 9.582310375e+01 1.76 4.267623889e+01 7.498883463e+01 8.947295713e+01 1.78 3.937639615e+01 6.982585668e+01 8.352033720e+01 1.80 3.630762102e+01 6.500961002e+01 7.794438250e+01 1.82 3.345444529e+01 6.051562452e+01 7.272036267e+01 1.84 3.080242869e+01 5.632083318e+01 6.782572674e+01 1.86 2.833791687e+01 5.240373147e+01 6.323997860e+01 1.88 2.604791337e+01 4.874446537e+01 5.894445683e+01 1.90 2.392005936e+01 4.532478919e+01 5.492200621e+01 1.92 2.194267771e+01 4.212794062e+01 5.115661430e+01 1.94 2.010484645e+01 3.913847971e+01 4.763305122e+01 1.96 1.839644642e+01 3.634214266e+01 4.433661844e+01 1.98 1.680816419e+01 3.372572218e+01 4.125304057e+01 2.00 1.533144501e+01 3.127697652e+01 3.836849394e+01 2.02 1.395842431e+01 2.898456866e+01 3.566973008e+01 2.04 1.268184592e+01 2.683802075e+01 3.314421080e+01 2.06 1.149500873e+01 2.482767688e+01 3.078020738e+01 2.08 1.039171886e+01 2.294466485e+01 2.856683870e+01 2.10 9.366255232e+00 2.118084944e+01 2.649406390e+01 2.12 8.413336377e+00 1.952877391e+01 2.455263928e+01 2.14 7.528084166e+00 1.798158974e+01 2.273405543e+01 2.16 6.705986616e+00 1.653297611e+01 2.103046272e+01 2.18 5.942851216e+00 1.517706080e+01 1.943459278e+01 2.20 5.234771477e+00 1.390834344e+01 1.793968442e+01 2.22 4.578088380e+00 1.272164129e+01 1.653941732e+01 2.24 3.969365248e+00 1.161205042e+01 1.522786142e+01 2.26 3.405370611e+00 1.057492302e+01 1.399943731e+01 2.28 2.883070157e+00 9.605852782e+00 1.284889131e+01 2.30 2.399623952e+00 8.700665370e+00 1.177127272e+01 2.32 1.952385069e+00 7.855406964e+00 1.076192702e+01 2.34 1.538895023e+00 7.066337326e+00 9.816491975e+00 2.36 1.156871276e+00 6.329921195e+00 8.930899394e+00 2.38 8.041986975e-01 5.642823312e+00 8.101375698e+00 2.40 4.789143159e-01 5.001904869e+00 7.324438472e+00 2.42 1.791988936e-01 4.404221513e+00 6.596882185e+00 2.44 -9.662941419e-02 3.847019655e+00 5.915755429e+00 2.46 -3.501201497e-01 3.327732476e+00 5.278331217e+00 2.48 -5.826966730e-01 2.843972449e+00 4.682074335e+00 2.50 -7.956651272e-01 2.393521092e+00 4.124611055e+00 2.52 -9.902270559e-01 1.974316227e+00 3.603701077e+00 2.54 -1.167495236e+00 1.584437879e+00 3.117218525e+00 2.56 -1.328516268e+00 1.222094261e+00 2.663138608e+00 2.58 -1.474275667e+00 8.856090574e-01 2.239530910e+00 2.60 -1.605722200e+00 5.734106945e-01 1.844557243e+00 2.62 -1.723777973e+00 2.840243522e-01 1.476472621e+00 2.64 -1.829344802e+00 1.606252487e-02 1.133623741e+00 2.66 -1.923300872e+00 -2.317756455e-01 8.144535246e-01 2.68 -2.006495605e+00 -4.607111651e-01 5.174976969e-01 2.70 -2.079740519e+00 -6.718870169e-01 2.413842458e-01 2.72 -2.143779736e+00 -8.663704157e-01 -1.516813020e-02 2.74 -2.199217459e+00 -1.045155349e+00 -2.533513268e-01 2.76 -2.246598383e+00 -1.209166095e+00 -4.742689097e-01 2.78 -2.286432337e+00 -1.359263773e+00 -6.789375840e-01 2.80 -2.319193588e+00 -1.496251382e+00 -8.682906058e-01 2.82 -2.345319217e+00 -1.620876490e+00 -1.043182950e+00 2.84 -2.365215692e+00 -1.733846492e+00 -1.204400619e+00 2.86 -2.379264600e+00 -1.835836065e+00 -1.352672685e+00 2.88 -2.387834432e+00 -1.927493931e+00 -1.488675480e+00 2.90 -2.391284543e+00 -2.009447730e+00 -1.613048792e+00 2.92 -2.390095851e+00 -2.082306661e+00 -1.726405841e+00 2.94 -2.384581473e+00 -2.146661986e+00 -1.829339841e+00 2.96 -2.374951003e+00 -2.203080795e+00 -1.922426227e+00 2.98 -2.361466727e+00 -2.252048971e+00 -2.006232134e+00 3.00 -2.344431881e+00 -2.294001178e+00 -2.081304010e+00 3.02 -2.324177511e+00 -2.329362573e+00 -2.148174859e+00 3.04 -2.301047799e+00 -2.358544881e+00 -2.207346067e+00 3.06 -2.275367573e+00 -2.381948388e+00 -2.259238782e+00 3.08 -2.247415724e+00 -2.399953542e+00 -2.304245922e+00 3.10 -2.217461150e+00 -2.412926091e+00 -2.342748282e+00 3.12 -2.185759124e+00 -2.421215667e+00 -2.375110631e+00 3.14 -2.152546099e+00 -2.425162861e+00 -2.401679415e+00 3.16 -2.118038514e+00 -2.425101173e+00 -2.422782345e+00 3.18 -2.082434752e+00 -2.421455513e+00 -2.438729772e+00 3.20 -2.045918957e+00 -2.414471855e+00 -2.449817143e+00 3.22 -2.008665256e+00 -2.404334131e+00 -2.456330296e+00 3.24 -1.970841046e+00 -2.391244580e+00 -2.458546844e+00 3.26 -1.932608386e+00 -2.375418261e+00 -2.456776120e+00 3.28 -1.894123188e+00 -2.357077845e+00 -2.451379025e+00 3.30 -1.855532508e+00 -2.336448957e+00 -2.442515460e+00 3.32 -1.816970826e+00 -2.313749639e+00 -2.430355647e+00 3.34 -1.778555462e+00 -2.289168790e+00 -2.415097965e+00 3.36 -1.740387733e+00 -2.262885909e+00 -2.396963020e+00 3.38 -1.702545734e+00 -2.235076956e+00 -2.376187424e+00 3.40 -1.665089042e+00 -2.205914544e+00 -2.353017838e+00 3.42 -1.628058221e+00 -2.175565774e+00 -2.327699649e+00 3.44 -1.591481649e+00 -2.144185938e+00 -2.300451342e+00 3.46 -1.555371606e+00 -2.111918178e+00 -2.271488403e+00 3.48 -1.519732148e+00 -2.078891578e+00 -2.241032056e+00 3.50 -1.484559670e+00 -2.045220831e+00 -2.209302630e+00 3.52 -1.449850266e+00 -2.011006819e+00 -2.176524446e+00 3.54 -1.415594812e+00 -1.976337944e+00 -2.142906692e+00 3.56 -1.381786100e+00 -1.941291994e+00 -2.108648731e+00 3.58 -1.348418937e+00 -1.905938395e+00 -2.073932668e+00 3.60 -1.315491091e+00 -1.870340639e+00 -2.038919426e+00 3.62 -1.283003756e+00 -1.834558737e+00 -2.003746226e+00 3.64 -1.250961570e+00 -1.798651510e+00 -1.968525810e+00 3.66 -1.219372301e+00 -1.762678511e+00 -1.933347448e+00 3.68 -1.188246295e+00 -1.726701393e+00 -1.898279397e+00 3.70 -1.157595782e+00 -1.690784519e+00 -1.863372297e+00 3.72 -1.127434140e+00 -1.654994718e+00 -1.828662933e+00 3.74 -1.097775180e+00 -1.619400165e+00 -1.794177884e+00 3.76 -1.068632504e+00 -1.584068539e+00 -1.759936710e+00 3.78 -1.040018971e+00 -1.549064729e+00 -1.725954512e+00 3.80 -1.011946271e+00 -1.514448486e+00 -1.692243831e+00 3.82 -9.844246159e-01 -1.480272387e+00 -1.658815930e+00 3.84 -9.574625463e-01 -1.446580431e+00 -1.625681576e+00 3.86 -9.310668157e-01 -1.413407428e+00 -1.592851428e+00 3.88 -9.052423587e-01 -1.380779167e+00 -1.560336147e+00 3.90 -8.799923120e-01 -1.348713224e+00 -1.528146331e+00 3.92 -8.553171151e-01 -1.317219049e+00 -1.496290809e+00 3.94 -8.312186327e-01 -1.286304096e+00 -1.464782790e+00 3.96 -8.076939104e-01 -1.255967747e+00 -1.433629595e+00 3.98 -7.847397556e-01 -1.226207747e+00 -1.402839475e+00 4.00 -7.623516703e-01 -1.197019789e+00 -1.372419566e+00 4.02 -7.405239648e-01 -1.168398226e+00 -1.342375759e+00 4.04 -7.192498678e-01 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-1.047412009e-01 5.82 -1.902729701e-02 -6.791508321e-02 -1.004399787e-01 5.84 -1.805016483e-02 -6.495573686e-02 -9.617747114e-02 5.86 -1.710964557e-02 -6.203567177e-02 -9.195230425e-02 5.88 -1.620243850e-02 -5.915287877e-02 -8.776415500e-02 5.90 -1.532570885e-02 -5.630634256e-02 -8.361385407e-02 5.92 -1.447710012e-02 -5.349607324e-02 -7.950347057e-02 5.94 -1.365473583e-02 -5.072311019e-02 -7.543637060e-02 5.96 -1.285721067e-02 -4.798928519e-02 -7.141724191e-02 5.98 -1.208357130e-02 -4.529764612e-02 -6.745207238e-02 6.00 -1.133328689e-02 -4.265229868e-02 -6.354808059e-02