# 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 = AgPb2Ta # 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 4.388491137e+02 4.388491137e+02 1.30 4.098600931e+02 4.098600931e+02 1.32 3.829121056e+02 3.829121056e+02 1.34 3.578472501e+02 3.578472501e+02 1.36 3.345156555e+02 3.345156555e+02 1.38 3.127771113e+02 3.127771113e+02 1.40 2.925031743e+02 2.925031743e+02 1.42 2.735783539e+02 2.735783539e+02 1.44 2.558998301e+02 2.558998301e+02 1.46 2.393760725e+02 2.393760725e+02 1.48 2.239251079e+02 2.239251079e+02 1.50 2.094729333e+02 2.094729333e+02 1.52 1.959521326e+02 1.959521326e+02 1.54 1.833006438e+02 1.833006438e+02 1.56 1.714605587e+02 1.714605587e+02 1.58 1.603771912e+02 1.603771912e+02 1.60 1.499986298e+02 1.499986298e+02 1.62 1.402758438e+02 1.402758438e+02 1.64 1.311630169e+02 1.311630169e+02 1.66 1.226178357e+02 1.226178357e+02 1.68 1.146014912e+02 1.146014912e+02 1.70 1.070783608e+02 1.070783608e+02 1.72 1.000155354e+02 1.000155354e+02 1.74 9.338236922e+01 9.338236922e+01 1.76 8.715156707e+01 8.715156707e+01 1.78 8.129965837e+01 8.129965837e+01 1.80 7.580117447e+01 7.580117447e+01 1.82 7.063279046e+01 7.063279046e+01 1.84 6.578229368e+01 6.578229368e+01 1.86 6.123313404e+01 6.123313404e+01 1.88 5.696555475e+01 5.696555475e+01 1.90 5.296159542e+01 5.296159542e+01 1.92 4.920501849e+01 4.920501849e+01 1.94 4.568124935e+01 4.568124935e+01 1.96 4.237726051e+01 4.237726051e+01 1.98 3.928136914e+01 3.928136914e+01 2.00 3.638290788e+01 3.638290788e+01 2.02 3.367181539e+01 3.367181539e+01 2.04 3.113824582e+01 3.113824582e+01 2.06 2.877231339e+01 2.877231339e+01 2.08 2.656403323e+01 2.656403323e+01 2.10 2.450342291e+01 2.450342291e+01 2.12 2.258070316e+01 2.258070316e+01 2.14 2.078649382e+01 2.078649382e+01 2.16 1.911195987e+01 1.911195987e+01 2.18 1.754888802e+01 1.754888802e+01 2.20 1.608969516e+01 1.608969516e+01 2.22 1.472739941e+01 1.472739941e+01 2.24 1.345556475e+01 1.345556475e+01 2.26 1.226823598e+01 1.226823598e+01 2.28 1.115987548e+01 1.115987548e+01 2.30 1.012529911e+01 1.012529911e+01 2.32 9.159624481e+00 9.159624481e+00 2.34 8.258242318e+00 8.258242318e+00 2.36 7.416792534e+00 7.416792534e+00 2.38 6.631162524e+00 6.631162524e+00 2.40 5.897494571e+00 5.897494571e+00 2.42 5.212198928e+00 5.212198928e+00 2.44 4.572009218e+00 4.572009218e+00 2.46 3.973969808e+00 3.973969808e+00 2.48 3.415194674e+00 3.415194674e+00 2.50 2.893087560e+00 2.893087560e+00 2.52 2.405325920e+00 2.405325920e+00 2.54 1.949822676e+00 1.949822676e+00 2.56 1.524687528e+00 1.524687528e+00 2.58 1.128191647e+00 1.128191647e+00 2.60 7.588177646e-01 7.588177646e-01 2.62 4.152731908e-01 4.152731908e-01 2.64 9.629716095e-02 9.629716095e-02 2.66 -1.993495926e-01 -1.993495926e-01 2.68 -4.728851155e-01 -4.728851155e-01 2.70 -7.254994648e-01 -7.254994648e-01 2.72 -9.583487303e-01 -9.583487303e-01 2.74 -1.172549227e+00 -1.172549227e+00 2.76 -1.369172568e+00 -1.369172568e+00 2.78 -1.549241961e+00 -1.549241961e+00 2.80 -1.713730438e+00 -1.713730438e+00 2.82 -1.863559472e+00 -1.863559472e+00 2.84 -1.999599760e+00 -1.999599760e+00 2.86 -2.122672439e+00 -2.122672439e+00 2.88 -2.233551101e+00 -2.233551101e+00 2.90 -2.332964296e+00 -2.332964296e+00 2.92 -2.421598360e+00 -2.421598360e+00 2.94 -2.500100436e+00 -2.500100436e+00 2.96 -2.569081571e+00 -2.569081571e+00 2.98 -2.629119824e+00 -2.629119824e+00 3.00 -2.680763235e+00 -2.680763235e+00 3.02 -2.724532535e+00 -2.724532535e+00 3.04 -2.760923067e+00 -2.760923067e+00 3.06 -2.790425595e+00 -2.790425595e+00 3.08 -2.813592481e+00 -2.813592481e+00 3.10 -2.830762385e+00 -2.830762385e+00 3.12 -2.842227874e+00 -2.842227874e+00 3.14 -2.848284906e+00 -2.848284906e+00 3.16 -2.849224916e+00 -2.849224916e+00 3.18 -2.845342422e+00 -2.845342422e+00 3.20 -2.836934801e+00 -2.836934801e+00 3.22 -2.824311009e+00 -2.824311009e+00 3.24 -2.807793975e+00 -2.807793975e+00 3.26 -2.787708800e+00 -2.787708800e+00 3.28 -2.764381626e+00 -2.764381626e+00 3.30 -2.738138822e+00 -2.738138822e+00 3.32 -2.709305143e+00 -2.709305143e+00 3.34 -2.678200484e+00 -2.678200484e+00 3.36 -2.645135087e+00 -2.645135087e+00 3.38 -2.610403513e+00 -2.610403513e+00 3.40 -2.574319498e+00 -2.574319498e+00 3.42 -2.537146244e+00 -2.537146244e+00 3.44 -2.499028973e+00 -2.499028973e+00 3.46 -2.460087244e+00 -2.460087244e+00 3.48 -2.420412782e+00 -2.420412782e+00 3.50 -2.380069159e+00 -2.380069159e+00 3.52 -2.339093512e+00 -2.339093512e+00 3.54 -2.297499867e+00 -2.297499867e+00 3.56 -2.255279191e+00 -2.255279191e+00 3.58 -2.212385116e+00 -2.212385116e+00 3.60 -2.168756165e+00 -2.168756165e+00 3.62 -2.124331920e+00 -2.124331920e+00 3.64 -2.079058615e+00 -2.079058615e+00 3.66 -2.032895055e+00 -2.032895055e+00 3.68 -1.985818513e+00 -1.985818513e+00 3.70 -1.937830295e+00 -1.937830295e+00 3.72 -1.888960590e+00 -1.888960590e+00 3.74 -1.839272151e+00 -1.839272151e+00 3.76 -1.788862357e+00 -1.788862357e+00 3.78 -1.737863266e+00 -1.737863266e+00 3.80 -1.686439456e+00 -1.686439456e+00 3.82 -1.634783604e+00 -1.634783604e+00 3.84 -1.583110043e+00 -1.583110043e+00 3.86 -1.531646712e+00 -1.531646712e+00 3.88 -1.480626110e+00 -1.480626110e+00 3.90 -1.430275997e+00 -1.430275997e+00 3.92 -1.380809856e+00 -1.380809856e+00 3.94 -1.332422229e+00 -1.332422229e+00 3.96 -1.285278081e+00 -1.285278081e+00 3.98 -1.239512147e+00 -1.239512147e+00 4.00 -1.195226249e+00 -1.195226249e+00 4.02 -1.152489452e+00 -1.152489452e+00 4.04 -1.111339911e+00 -1.111339911e+00 4.06 -1.071787994e+00 -1.071787994e+00 4.08 -1.033820250e+00 -1.033820250e+00 4.10 -9.974014325e-01 -9.974014325e-01 4.12 -9.624889232e-01 -9.624889232e-01 4.14 -9.290213591e-01 -9.290213591e-01 4.16 -8.969335073e-01 -8.969335073e-01 4.18 -8.661567360e-01 -8.661567360e-01 4.20 -8.366218301e-01 -8.366218301e-01 4.22 -8.082612231e-01 -8.082612231e-01 4.24 -7.810106559e-01 -7.810106559e-01 4.26 -7.548102908e-01 -7.548102908e-01 4.28 -7.296053189e-01 -7.296053189e-01 4.30 -7.053461147e-01 -7.053461147e-01 4.32 -6.819880036e-01 -6.819880036e-01 4.34 -6.594907257e-01 -6.594907257e-01 4.36 -6.378176905e-01 -6.378176905e-01 4.38 -6.169351312e-01 -6.169351312e-01 4.40 -5.968112587e-01 -5.968112587e-01 4.42 -5.774155086e-01 -5.774155086e-01 4.44 -5.587179454e-01 -5.587179454e-01 4.46 -5.406888587e-01 -5.406888587e-01 4.48 -5.232985554e-01 -5.232985554e-01 4.50 -5.065173236e-01 -5.065173236e-01 4.52 -4.903155271e-01 -4.903155271e-01 4.54 -4.746637853e-01 -4.746637853e-01 4.56 -4.595331906e-01 -4.595331906e-01 4.58 -4.448955294e-01 -4.448955294e-01 4.60 -4.307234793e-01 -4.307234793e-01 4.62 -4.169907725e-01 -4.169907725e-01 4.64 -4.036723181e-01 -4.036723181e-01 4.66 -3.907442922e-01 -3.907442922e-01 4.68 -3.781842003e-01 -3.781842003e-01 4.70 -3.659709250e-01 -3.659709250e-01 4.72 -3.540847690e-01 -3.540847690e-01 4.74 -3.425075014e-01 -3.425075014e-01 4.76 -3.312224145e-01 -3.312224145e-01 4.78 -3.202143940e-01 -3.202143940e-01 4.80 -3.094684774e-01 -3.094684774e-01 4.82 -2.989762755e-01 -2.989762755e-01 4.84 -2.887261587e-01 -2.887261587e-01 4.86 -2.787102281e-01 -2.787102281e-01 4.88 -2.689225452e-01 -2.689225452e-01 4.90 -2.593591253e-01 -2.593591253e-01 4.92 -2.500178686e-01 -2.500178686e-01 4.94 -2.408984166e-01 -2.408984166e-01 4.96 -2.320019291e-01 -2.320019291e-01 4.98 -2.233307847e-01 -2.233307847e-01 5.00 -2.148882192e-01 -2.148882192e-01 5.02 -2.066779243e-01 -2.066779243e-01 5.04 -1.987036379e-01 -1.987036379e-01 5.06 -1.909687604e-01 -1.909687604e-01 5.08 -1.834760297e-01 -1.834760297e-01 5.10 -1.762272760e-01 -1.762272760e-01 5.12 -1.692232840e-01 -1.692232840e-01 5.14 -1.624637540e-01 -1.624637540e-01 5.16 -1.559473536e-01 -1.559473536e-01 5.18 -1.496718402e-01 -1.496718402e-01 5.20 -1.436342204e-01 -1.436342204e-01 5.22 -1.378309189e-01 -1.378309189e-01 5.24 -1.322579309e-01 -1.322579309e-01 5.26 -1.269109368e-01 -1.269109368e-01 5.28 -1.217853665e-01 -1.217853665e-01 5.30 -1.168764114e-01 -1.168764114e-01 5.32 -1.121787714e-01 -1.121787714e-01 5.34 -1.076863256e-01 -1.076863256e-01 5.36 -1.033936697e-01 -1.033936697e-01 5.38 -9.929489407e-02 -9.929489407e-02 5.40 -9.538342852e-02 -9.538342852e-02 5.42 -9.165205325e-02 -9.165205325e-02 5.44 -8.809294155e-02 -8.809294155e-02 5.46 -8.469773309e-02 -8.469773309e-02 5.48 -8.145763332e-02 -8.145763332e-02 5.50 -7.836353106e-02 -7.836353106e-02 5.52 -7.540612533e-02 -7.540612533e-02 5.54 -7.257605279e-02 -7.257605279e-02 5.56 -6.986400832e-02 -6.986400832e-02 5.58 -6.726085323e-02 -6.726085323e-02 5.60 -6.475770804e-02 -6.475770804e-02 5.62 -6.234602823e-02 -6.234602823e-02 5.64 -6.001766369e-02 -6.001766369e-02 5.66 -5.776490339e-02 -5.776490339e-02 5.68 -5.558050783e-02 -5.558050783e-02 5.70 -5.345773220e-02 -5.345773220e-02 5.72 -5.139034323e-02 -5.139034323e-02 5.74 -4.937263244e-02 -4.937263244e-02 5.76 -4.739942837e-02 -4.739942837e-02 5.78 -4.546610953e-02 -4.546610953e-02 5.80 -4.356861846e-02 -4.356861846e-02 5.82 -4.170347925e-02 -4.170347925e-02 5.84 -3.986781703e-02 -3.986781703e-02 5.86 -3.805937867e-02 -3.805937867e-02 5.88 -3.627655310e-02 -3.627655310e-02 5.90 -3.451838900e-02 -3.451838900e-02 5.92 -3.278460675e-02 -3.278460675e-02 5.94 -3.107560155e-02 -3.107560155e-02 5.96 -2.939243412e-02 -2.939243412e-02 5.98 -2.773680622e-02 -2.773680622e-02 6.00 -2.611101645e-02 -2.611101645e-02