# 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 = CuMoPb2 # 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 3.326616110e+02 3.326616110e+02 1.30 3.102932473e+02 3.102932473e+02 1.32 2.894928857e+02 2.894928857e+02 1.34 2.701379217e+02 2.701379217e+02 1.36 2.521168142e+02 2.521168142e+02 1.38 2.353282136e+02 2.353282136e+02 1.40 2.196801361e+02 2.196801361e+02 1.42 2.050886621e+02 2.050886621e+02 1.44 1.914764181e+02 1.914764181e+02 1.46 1.787714669e+02 1.787714669e+02 1.48 1.669068658e+02 1.669068658e+02 1.50 1.558206247e+02 1.558206247e+02 1.52 1.454556339e+02 1.454556339e+02 1.54 1.357594728e+02 1.357594728e+02 1.56 1.266840692e+02 1.266840692e+02 1.58 1.181853647e+02 1.181853647e+02 1.60 1.102229627e+02 1.102229627e+02 1.62 1.027598072e+02 1.027598072e+02 1.64 9.576178541e+01 9.576178541e+01 1.66 8.919736007e+01 8.919736007e+01 1.68 8.303729475e+01 8.303729475e+01 1.70 7.725484368e+01 7.725484368e+01 1.72 7.182732242e+01 7.182732242e+01 1.74 6.673576495e+01 6.673576495e+01 1.76 6.197272592e+01 6.197272592e+01 1.78 5.752097919e+01 5.752097919e+01 1.80 5.336356250e+01 5.336356250e+01 1.82 4.948451046e+01 4.948451046e+01 1.84 4.586823056e+01 4.586823056e+01 1.86 4.249915697e+01 4.249915697e+01 1.88 3.936170325e+01 3.936170325e+01 1.90 3.644041055e+01 3.644041055e+01 1.92 3.372017998e+01 3.372017998e+01 1.94 3.118654668e+01 3.118654668e+01 1.96 2.882587649e+01 2.882587649e+01 1.98 2.662548606e+01 2.662548606e+01 2.00 2.457366058e+01 2.457366058e+01 2.02 2.265959937e+01 2.265959937e+01 2.04 2.087332532e+01 2.087332532e+01 2.06 1.920559809e+01 1.920559809e+01 2.08 1.764785496e+01 1.764785496e+01 2.10 1.619216897e+01 1.619216897e+01 2.12 1.483123616e+01 1.483123616e+01 2.14 1.355835555e+01 1.355835555e+01 2.16 1.236740927e+01 1.236740927e+01 2.18 1.125283300e+01 1.125283300e+01 2.20 1.020957196e+01 1.020957196e+01 2.22 9.233035772e+00 9.233035772e+00 2.24 8.319051332e+00 8.319051332e+00 2.26 7.463818398e+00 7.463818398e+00 2.28 6.663867050e+00 6.663867050e+00 2.30 5.916006565e+00 5.916006565e+00 2.32 5.217266151e+00 5.217266151e+00 2.34 4.564850905e+00 4.564850905e+00 2.36 3.956087858e+00 3.956087858e+00 2.38 3.388399238e+00 3.388399238e+00 2.40 2.859292873e+00 2.859292873e+00 2.42 2.366370211e+00 2.366370211e+00 2.44 1.907344161e+00 1.907344161e+00 2.46 1.480106659e+00 1.480106659e+00 2.48 1.082732300e+00 1.082732300e+00 2.50 7.132760242e-01 7.132760242e-01 2.52 3.699607183e-01 3.699607183e-01 2.54 5.117340448e-02 5.117340448e-02 2.56 -2.445558317e-01 -2.445558317e-01 2.58 -5.185764533e-01 -5.185764533e-01 2.60 -7.721391685e-01 -7.721391685e-01 2.62 -1.006414277e+00 -1.006414277e+00 2.64 -1.222493762e+00 -1.222493762e+00 2.66 -1.421302044e+00 -1.421302044e+00 2.68 -1.603709758e+00 -1.603709758e+00 2.70 -1.770583513e+00 -1.770583513e+00 2.72 -1.922779866e+00 -1.922779866e+00 2.74 -2.061135857e+00 -2.061135857e+00 2.76 -2.186491797e+00 -2.186491797e+00 2.78 -2.299845141e+00 -2.299845141e+00 2.80 -2.401722739e+00 -2.401722739e+00 2.82 -2.492544160e+00 -2.492544160e+00 2.84 -2.572732193e+00 -2.572732193e+00 2.86 -2.642716650e+00 -2.642716650e+00 2.88 -2.702940321e+00 -2.702940321e+00 2.90 -2.753865277e+00 -2.753865277e+00 2.92 -2.795999966e+00 -2.795999966e+00 2.94 -2.829907657e+00 -2.829907657e+00 2.96 -2.856166499e+00 -2.856166499e+00 2.98 -2.875360090e+00 -2.875360090e+00 3.00 -2.888068616e+00 -2.888068616e+00 3.02 -2.894858298e+00 -2.894858298e+00 3.04 -2.896270199e+00 -2.896270199e+00 3.06 -2.892813211e+00 -2.892813211e+00 3.08 -2.884953754e+00 -2.884953754e+00 3.10 -2.873114700e+00 -2.873114700e+00 3.12 -2.857672619e+00 -2.857672619e+00 3.14 -2.838965548e+00 -2.838965548e+00 3.16 -2.817285916e+00 -2.817285916e+00 3.18 -2.792890176e+00 -2.792890176e+00 3.20 -2.765998867e+00 -2.765998867e+00 3.22 -2.736798484e+00 -2.736798484e+00 3.24 -2.705522479e+00 -2.705522479e+00 3.26 -2.672258449e+00 -2.672258449e+00 3.28 -2.636987954e+00 -2.636987954e+00 3.30 -2.599690429e+00 -2.599690429e+00 3.32 -2.560351238e+00 -2.560351238e+00 3.34 -2.518971535e+00 -2.518971535e+00 3.36 -2.475574427e+00 -2.475574427e+00 3.38 -2.430175659e+00 -2.430175659e+00 3.40 -2.382812670e+00 -2.382812670e+00 3.42 -2.333581278e+00 -2.333581278e+00 3.44 -2.282633860e+00 -2.282633860e+00 3.46 -2.230175978e+00 -2.230175978e+00 3.48 -2.176457237e+00 -2.176457237e+00 3.50 -2.121759262e+00 -2.121759262e+00 3.52 -2.066381707e+00 -2.066381707e+00 3.54 -2.010627816e+00 -2.010627816e+00 3.56 -1.954791000e+00 -1.954791000e+00 3.58 -1.899143686e+00 -1.899143686e+00 3.60 -1.843929261e+00 -1.843929261e+00 3.62 -1.789357446e+00 -1.789357446e+00 3.64 -1.735602963e+00 -1.735602963e+00 3.66 -1.682806973e+00 -1.682806973e+00 3.68 -1.631080522e+00 -1.631080522e+00 3.70 -1.580509124e+00 -1.580509124e+00 3.72 -1.531157672e+00 -1.531157672e+00 3.74 -1.483075002e+00 -1.483075002e+00 3.76 -1.436297671e+00 -1.436297671e+00 3.78 -1.390852711e+00 -1.390852711e+00 3.80 -1.346759348e+00 -1.346759348e+00 3.82 -1.304029801e+00 -1.304029801e+00 3.84 -1.262669390e+00 -1.262669390e+00 3.86 -1.222676184e+00 -1.222676184e+00 3.88 -1.184040464e+00 -1.184040464e+00 3.90 -1.146744238e+00 -1.146744238e+00 3.92 -1.110760179e+00 -1.110760179e+00 3.94 -1.076055335e+00 -1.076055335e+00 3.96 -1.042586225e+00 -1.042586225e+00 3.98 -1.010303823e+00 -1.010303823e+00 4.00 -9.791539253e-01 -9.791539253e-01 4.02 -9.490787139e-01 -9.490787139e-01 4.04 -9.200183290e-01 -9.200183290e-01 4.06 -8.919123095e-01 -8.919123095e-01 4.08 -8.647008163e-01 -8.647008163e-01 4.10 -8.383233052e-01 -8.383233052e-01 4.12 -8.127288649e-01 -8.127288649e-01 4.14 -7.878616193e-01 -7.878616193e-01 4.16 -7.636717259e-01 -7.636717259e-01 4.18 -7.401128622e-01 -7.401128622e-01 4.20 -7.171425020e-01 -7.171425020e-01 4.22 -6.947222144e-01 -6.947222144e-01 4.24 -6.728180151e-01 -6.728180151e-01 4.26 -6.514007759e-01 -6.514007759e-01 4.28 -6.304466787e-01 -6.304466787e-01 4.30 -6.099376724e-01 -6.099376724e-01 4.32 -5.898618696e-01 -5.898618696e-01 4.34 -5.702138014e-01 -5.702138014e-01 4.36 -5.509944398e-01 -5.509944398e-01 4.38 -5.322109034e-01 -5.322109034e-01 4.40 -5.138757833e-01 -5.138757833e-01 4.42 -4.960060690e-01 -4.960060690e-01 4.44 -4.786217084e-01 -4.786217084e-01 4.46 -4.617438945e-01 -4.617438945e-01 4.48 -4.453932253e-01 -4.453932253e-01 4.50 -4.295879112e-01 -4.295879112e-01 4.52 -4.143422100e-01 -4.143422100e-01 4.54 -3.996652353e-01 -3.996652353e-01 4.56 -3.855602345e-01 -3.855602345e-01 4.58 -3.720243620e-01 -3.720243620e-01 4.60 -3.590489106e-01 -3.590489106e-01 4.62 -3.466199147e-01 -3.466199147e-01 4.64 -3.347190089e-01 -3.347190089e-01 4.66 -3.233244200e-01 -3.233244200e-01 4.68 -3.124119851e-01 -3.124119851e-01 4.70 -3.019561071e-01 -3.019561071e-01 4.72 -2.919305925e-01 -2.919305925e-01 4.74 -2.823093404e-01 -2.823093404e-01 4.76 -2.730668732e-01 -2.730668732e-01 4.78 -2.641787199e-01 -2.641787199e-01 4.80 -2.556201132e-01 -2.556201132e-01 4.82 -2.473725967e-01 -2.473725967e-01 4.84 -2.394139800e-01 -2.394139800e-01 4.86 -2.317253832e-01 -2.317253832e-01 4.88 -2.242893478e-01 -2.242893478e-01 4.90 -2.170897720e-01 -2.170897720e-01 4.92 -2.101118350e-01 -2.101118350e-01 4.94 -2.033419235e-01 -2.033419235e-01 4.96 -1.967675631e-01 -1.967675631e-01 4.98 -1.903773627e-01 -1.903773627e-01 5.00 -1.841609734e-01 -1.841609734e-01 5.02 -1.781090639e-01 -1.781090639e-01 5.04 -1.722133114e-01 -1.722133114e-01 5.06 -1.664664067e-01 -1.664664067e-01 5.08 -1.608620682e-01 -1.608620682e-01 5.10 -1.553950596e-01 -1.553950596e-01 5.12 -1.500612074e-01 -1.500612074e-01 5.14 -1.448574068e-01 -1.448574068e-01 5.16 -1.397816103e-01 -1.397816103e-01 5.18 -1.348327880e-01 -1.348327880e-01 5.20 -1.300108552e-01 -1.300108552e-01 5.22 -1.253165595e-01 -1.253165595e-01 5.24 -1.207513272e-01 -1.207513272e-01 5.26 -1.163170055e-01 -1.163170055e-01 5.28 -1.120152188e-01 -1.120152188e-01 5.30 -1.078482634e-01 -1.078482634e-01 5.32 -1.038183477e-01 -1.038183477e-01 5.34 -9.992716801e-02 -9.992716801e-02 5.36 -9.617569972e-02 -9.617569972e-02 5.38 -9.256403415e-02 -9.256403415e-02 5.40 -8.909127045e-02 -8.909127045e-02 5.42 -8.575546748e-02 -8.575546748e-02 5.44 -8.255365423e-02 -8.255365423e-02 5.46 -7.948189236e-02 -7.948189236e-02 5.48 -7.653538075e-02 -7.653538075e-02 5.50 -7.370858955e-02 -7.370858955e-02 5.52 -7.099541121e-02 -7.099541121e-02 5.54 -6.838931658e-02 -6.838931658e-02 5.56 -6.588350650e-02 -6.588350650e-02 5.58 -6.347105154e-02 -6.347105154e-02 5.60 -6.114501549e-02 -6.114501549e-02 5.62 -5.889856035e-02 -5.889856035e-02 5.64 -5.672503286e-02 -5.672503286e-02 5.66 -5.461803376e-02 -5.461803376e-02 5.68 -5.257147240e-02 -5.257147240e-02 5.70 -5.057960940e-02 -5.057960940e-02 5.72 -4.863709046e-02 -4.863709046e-02 5.74 -4.673897439e-02 -4.673897439e-02 5.76 -4.488075756e-02 -4.488075756e-02 5.78 -4.305839700e-02 -4.305839700e-02 5.80 -4.126833449e-02 -4.126833449e-02 5.82 -3.950752032e-02 -3.950752032e-02 5.84 -3.777343838e-02 -3.777343838e-02 5.86 -3.606413140e-02 -3.606413140e-02 5.88 -3.437822497e-02 -3.437822497e-02 5.90 -3.271494825e-02 -3.271494825e-02 5.92 -3.107414871e-02 -3.107414871e-02 5.94 -2.945629798e-02 -2.945629798e-02 5.96 -2.786248551e-02 -2.786248551e-02 5.98 -2.629439523e-02 -2.629439523e-02 6.00 -2.475426690e-02 -2.475426690e-02