# 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 = Pb2WZr # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 5.383357528e+02 5.383357528e+02 1.30 5.033062693e+02 5.033062693e+02 1.32 4.706972524e+02 4.706972524e+02 1.34 4.403190212e+02 4.403190212e+02 1.36 4.120024342e+02 4.120024342e+02 1.38 3.855962979e+02 3.855962979e+02 1.40 3.609640130e+02 3.609640130e+02 1.42 3.379801568e+02 3.379801568e+02 1.44 3.165276896e+02 3.165276896e+02 1.46 2.964959060e+02 2.964959060e+02 1.48 2.777795940e+02 2.777795940e+02 1.50 2.602797654e+02 2.602797654e+02 1.52 2.439051696e+02 2.439051696e+02 1.54 2.285731520e+02 2.285731520e+02 1.56 2.142093280e+02 2.142093280e+02 1.58 2.007463043e+02 2.007463043e+02 1.60 1.881222666e+02 1.881222666e+02 1.62 1.762799426e+02 1.762799426e+02 1.64 1.651660902e+02 1.651660902e+02 1.66 1.547312786e+02 1.547312786e+02 1.68 1.449298111e+02 1.449298111e+02 1.70 1.357196440e+02 1.357196440e+02 1.72 1.270622558e+02 1.270622558e+02 1.74 1.189225407e+02 1.189225407e+02 1.76 1.112687617e+02 1.112687617e+02 1.78 1.040724367e+02 1.040724367e+02 1.80 9.730800050e+01 9.730800050e+01 1.82 9.095217504e+01 9.095217504e+01 1.84 8.498325690e+01 8.498325690e+01 1.86 7.938044151e+01 7.938044151e+01 1.88 7.412330673e+01 7.412330673e+01 1.90 6.919212097e+01 6.919212097e+01 1.92 6.456723254e+01 6.456723254e+01 1.94 6.022856188e+01 6.022856188e+01 1.96 5.615884244e+01 5.615884244e+01 1.98 5.234837181e+01 5.234837181e+01 2.00 4.877963107e+01 4.877963107e+01 2.02 4.543541526e+01 4.543541526e+01 2.04 4.229989122e+01 4.229989122e+01 2.06 3.935850739e+01 3.935850739e+01 2.08 3.659789885e+01 3.659789885e+01 2.10 3.400581162e+01 3.400581162e+01 2.12 3.157100657e+01 3.157100657e+01 2.14 2.928317200e+01 2.928317200e+01 2.16 2.713283136e+01 2.713283136e+01 2.18 2.511126478e+01 2.511126478e+01 2.20 2.321045019e+01 2.321045019e+01 2.22 2.142300827e+01 2.142300827e+01 2.24 1.974214838e+01 1.974214838e+01 2.26 1.816161352e+01 1.816161352e+01 2.28 1.667561671e+01 1.667561671e+01 2.30 1.527879564e+01 1.527879564e+01 2.32 1.396615119e+01 1.396615119e+01 2.34 1.273298595e+01 1.273298595e+01 2.36 1.157485618e+01 1.157485618e+01 2.38 1.048752570e+01 1.048752570e+01 2.40 9.466934875e+00 9.466934875e+00 2.42 8.509184305e+00 8.509184305e+00 2.44 7.610541710e+00 7.610541710e+00 2.46 6.767461710e+00 6.767461710e+00 2.48 5.976617490e+00 5.976617490e+00 2.50 5.234928271e+00 5.234928271e+00 2.52 4.539570261e+00 4.539570261e+00 2.54 3.887965630e+00 3.887965630e+00 2.56 3.277754124e+00 3.277754124e+00 2.58 2.706787543e+00 2.706787543e+00 2.60 2.173079215e+00 2.173079215e+00 2.62 1.674666816e+00 1.674666816e+00 2.64 1.209696070e+00 1.209696070e+00 2.66 7.764087292e-01 7.764087292e-01 2.68 3.731169433e-01 3.731169433e-01 2.70 -1.857181277e-03 -1.857181277e-03 2.72 -3.500205836e-01 -3.500205836e-01 2.74 -6.728144644e-01 -6.728144644e-01 2.76 -9.716330390e-01 -9.716330390e-01 2.78 -1.247701592e+00 -1.247701592e+00 2.80 -1.502145810e+00 -1.502145810e+00 2.82 -1.736069760e+00 -1.736069760e+00 2.84 -1.950506671e+00 -1.950506671e+00 2.86 -2.146270246e+00 -2.146270246e+00 2.88 -2.324125625e+00 -2.324125625e+00 2.90 -2.484844816e+00 -2.484844816e+00 2.92 -2.629208061e+00 -2.629208061e+00 2.94 -2.758007170e+00 -2.758007170e+00 2.96 -2.872049113e+00 -2.872049113e+00 2.98 -2.972158143e+00 -2.972158143e+00 3.00 -3.059175069e+00 -3.059175069e+00 3.02 -3.133953001e+00 -3.133953001e+00 3.04 -3.197346838e+00 -3.197346838e+00 3.06 -3.250215649e+00 -3.250215649e+00 3.08 -3.293392167e+00 -3.293392167e+00 3.10 -3.327686611e+00 -3.327686611e+00 3.12 -3.353872330e+00 -3.353872330e+00 3.14 -3.372687088e+00 -3.372687088e+00 3.16 -3.384814676e+00 -3.384814676e+00 3.18 -3.390888950e+00 -3.390888950e+00 3.20 -3.391486539e+00 -3.391486539e+00 3.22 -3.387122545e+00 -3.387122545e+00 3.24 -3.378247934e+00 -3.378247934e+00 3.26 -3.365249874e+00 -3.365249874e+00 3.28 -3.348455675e+00 -3.348455675e+00 3.30 -3.328140061e+00 -3.328140061e+00 3.32 -3.304534676e+00 -3.304534676e+00 3.34 -3.277838460e+00 -3.277838460e+00 3.36 -3.248227737e+00 -3.248227737e+00 3.38 -3.215865406e+00 -3.215865406e+00 3.40 -3.180907883e+00 -3.180907883e+00 3.42 -3.143516857e+00 -3.143516857e+00 3.44 -3.103857170e+00 -3.103857170e+00 3.46 -3.062106207e+00 -3.062106207e+00 3.48 -3.018454383e+00 -3.018454383e+00 3.50 -2.973104908e+00 -2.973104908e+00 3.52 -2.926342229e+00 -2.926342229e+00 3.54 -2.878379955e+00 -2.878379955e+00 3.56 -2.829315986e+00 -2.829315986e+00 3.58 -2.779284585e+00 -2.779284585e+00 3.60 -2.728444140e+00 -2.728444140e+00 3.62 -2.676965599e+00 -2.676965599e+00 3.64 -2.625022485e+00 -2.625022485e+00 3.66 -2.572770332e+00 -2.572770332e+00 3.68 -2.520334934e+00 -2.520334934e+00 3.70 -2.467839265e+00 -2.467839265e+00 3.72 -2.415402783e+00 -2.415402783e+00 3.74 -2.363139163e+00 -2.363139163e+00 3.76 -2.311155417e+00 -2.311155417e+00 3.78 -2.259551893e+00 -2.259551893e+00 3.80 -2.208422738e+00 -2.208422738e+00 3.82 -2.157856420e+00 -2.157856420e+00 3.84 -2.107935964e+00 -2.107935964e+00 3.86 -2.058738661e+00 -2.058738661e+00 3.88 -2.010335100e+00 -2.010335100e+00 3.90 -1.962787638e+00 -1.962787638e+00 3.92 -1.916146148e+00 -1.916146148e+00 3.94 -1.870456464e+00 -1.870456464e+00 3.96 -1.825743260e+00 -1.825743260e+00 3.98 -1.782021114e+00 -1.782021114e+00 4.00 -1.739292260e+00 -1.739292260e+00 4.02 -1.697548198e+00 -1.697548198e+00 4.04 -1.656771838e+00 -1.656771838e+00 4.06 -1.616939832e+00 -1.616939832e+00 4.08 -1.578024786e+00 -1.578024786e+00 4.10 -1.539990663e+00 -1.539990663e+00 4.12 -1.502821367e+00 -1.502821367e+00 4.14 -1.466479095e+00 -1.466479095e+00 4.16 -1.430934983e+00 -1.430934983e+00 4.18 -1.396161547e+00 -1.396161547e+00 4.20 -1.362132866e+00 -1.362132866e+00 4.22 -1.328824638e+00 -1.328824638e+00 4.24 -1.296214181e+00 -1.296214181e+00 4.26 -1.264280397e+00 -1.264280397e+00 4.28 -1.233003741e+00 -1.233003741e+00 4.30 -1.202366190e+00 -1.202366190e+00 4.32 -1.172351226e+00 -1.172351226e+00 4.34 -1.142943813e+00 -1.142943813e+00 4.36 -1.114130371e+00 -1.114130371e+00 4.38 -1.085898734e+00 -1.085898734e+00 4.40 -1.058238078e+00 -1.058238078e+00 4.42 -1.031138837e+00 -1.031138837e+00 4.44 -1.004592575e+00 -1.004592575e+00 4.46 -9.785918460e-01 -9.785918460e-01 4.48 -9.531300264e-01 -9.531300264e-01 4.50 -9.282011385e-01 -9.282011385e-01 4.52 -9.037996683e-01 -9.037996683e-01 4.54 -8.799203865e-01 -8.799203865e-01 4.56 -8.565581816e-01 -8.565581816e-01 4.58 -8.337079090e-01 -8.337079090e-01 4.60 -8.113642625e-01 -8.113642625e-01 4.62 -7.895216698e-01 -7.895216698e-01 4.64 -7.681742130e-01 -7.681742130e-01 4.66 -7.473155750e-01 -7.473155750e-01 4.68 -7.269390076e-01 -7.269390076e-01 4.70 -7.070373202e-01 -7.070373202e-01 4.72 -6.876028851e-01 -6.876028851e-01 4.74 -6.686276558e-01 -6.686276558e-01 4.76 -6.501031940e-01 -6.501031940e-01 4.78 -6.320207025e-01 -6.320207025e-01 4.80 -6.143666368e-01 -6.143666368e-01 4.82 -5.971411688e-01 -5.971411688e-01 4.84 -5.803293595e-01 -5.803293595e-01 4.86 -5.639213532e-01 -5.639213532e-01 4.88 -5.479071065e-01 -5.479071065e-01 4.90 -5.322764223e-01 -5.322764223e-01 4.92 -5.170189866e-01 -5.170189866e-01 4.94 -5.021244074e-01 -5.021244074e-01 4.96 -4.875822601e-01 -4.875822601e-01 4.98 -4.733821399e-01 -4.733821399e-01 5.00 -4.595137228e-01 -4.595137228e-01 5.02 -4.459668356e-01 -4.459668356e-01 5.04 -4.327315369e-01 -4.327315369e-01 5.06 -4.197982046e-01 -4.197982046e-01 5.08 -4.071576323e-01 -4.071576323e-01 5.10 -3.948011281e-01 -3.948011281e-01 5.12 -3.827206130e-01 -3.827206130e-01 5.14 -3.709087141e-01 -3.709087141e-01 5.16 -3.593588455e-01 -3.593588455e-01 5.18 -3.480652729e-01 -3.480652729e-01 5.20 -3.370231547e-01 -3.370231547e-01 5.22 -3.262285573e-01 -3.262285573e-01 5.24 -3.156784428e-01 -3.156784428e-01 5.26 -3.053706291e-01 -3.053706291e-01 5.28 -2.953037274e-01 -2.953037274e-01 5.30 -2.854770616e-01 -2.854770616e-01 5.32 -2.758905754e-01 -2.758905754e-01 5.34 -2.665447340e-01 -2.665447340e-01 5.36 -2.574404215e-01 -2.574404215e-01 5.38 -2.485788354e-01 -2.485788354e-01 5.40 -2.399613718e-01 -2.399613718e-01 5.42 -2.315894967e-01 -2.315894967e-01 5.44 -2.234645948e-01 -2.234645948e-01 5.46 -2.155877908e-01 -2.155877908e-01 5.48 -2.079597457e-01 -2.079597457e-01 5.50 -2.005804327e-01 -2.005804327e-01 5.52 -1.934489094e-01 -1.934489094e-01 5.54 -1.865631057e-01 -1.865631057e-01 5.56 -1.799196498e-01 -1.799196498e-01 5.58 -1.735137524e-01 -1.735137524e-01 5.60 -1.673391637e-01 -1.673391637e-01 5.62 -1.613882089e-01 -1.613882089e-01 5.64 -1.556519001e-01 -1.556519001e-01 5.66 -1.501201123e-01 -1.501201123e-01 5.68 -1.447818082e-01 -1.447818082e-01 5.70 -1.396252907e-01 -1.396252907e-01 5.72 -1.346384665e-01 -1.346384665e-01 5.74 -1.298091028e-01 -1.298091028e-01 5.76 -1.251250656e-01 -1.251250656e-01 5.78 -1.205745323e-01 -1.205745323e-01 5.80 -1.161461740e-01 -1.161461740e-01 5.82 -1.118293074e-01 -1.118293074e-01 5.84 -1.076140193e-01 -1.076140193e-01 5.86 -1.034912637e-01 -1.034912637e-01 5.88 -9.945293770e-02 -9.945293770e-02 5.90 -9.549193761e-02 -9.549193761e-02 5.92 -9.160219736e-02 -9.160219736e-02 5.94 -8.777871111e-02 -8.777871111e-02 5.96 -8.401754056e-02 -8.401754056e-02 5.98 -8.031580663e-02 -8.031580663e-02 6.00 -7.667166424e-02 -7.667166424e-02