# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgNiPt2 # 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 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 8.558465664e+02 8.558465664e+02 1.00 7.817392354e+02 7.817392354e+02 1.02 7.144274299e+02 7.144274299e+02 1.04 6.532544996e+02 6.532544996e+02 1.06 5.976333745e+02 5.976333745e+02 1.08 5.470324350e+02 5.470324350e+02 1.10 5.009830244e+02 5.009830244e+02 1.12 4.590546340e+02 4.590546340e+02 1.14 4.208604756e+02 4.208604756e+02 1.16 3.860555408e+02 3.860555408e+02 1.18 3.543253803e+02 3.543253803e+02 1.20 3.253842580e+02 3.253842580e+02 1.22 2.989716327e+02 2.989716327e+02 1.24 2.748584171e+02 2.748584171e+02 1.26 2.528316808e+02 2.528316808e+02 1.28 2.326989420e+02 2.326989420e+02 1.30 2.142838793e+02 2.142838793e+02 1.32 1.974298641e+02 1.974298641e+02 1.34 1.819939223e+02 1.819939223e+02 1.36 1.678470730e+02 1.678470730e+02 1.38 1.548715779e+02 1.548715779e+02 1.40 1.429597514e+02 1.429597514e+02 1.42 1.320146772e+02 1.320146772e+02 1.44 1.219502277e+02 1.219502277e+02 1.46 1.126869061e+02 1.126869061e+02 1.48 1.041526653e+02 1.041526653e+02 1.50 9.628271232e+01 9.628271232e+01 1.52 8.901864939e+01 8.901864939e+01 1.54 8.230725293e+01 8.230725293e+01 1.56 7.609948829e+01 7.609948829e+01 1.58 7.035166964e+01 7.035166964e+01 1.60 6.502604166e+01 6.502604166e+01 1.62 6.008709522e+01 6.008709522e+01 1.64 5.550236325e+01 5.550236325e+01 1.66 5.124255988e+01 5.124255988e+01 1.68 4.728121029e+01 4.728121029e+01 1.70 4.359416333e+01 4.359416333e+01 1.72 4.015888979e+01 4.015888979e+01 1.74 3.695674065e+01 3.695674065e+01 1.76 3.396973782e+01 3.396973782e+01 1.78 3.118055125e+01 3.118055125e+01 1.80 2.857497608e+01 2.857497608e+01 1.82 2.613995122e+01 2.613995122e+01 1.84 2.386307180e+01 2.386307180e+01 1.86 2.173298096e+01 2.173298096e+01 1.88 1.974556402e+01 1.974556402e+01 1.90 1.787517794e+01 1.787517794e+01 1.92 1.612767351e+01 1.612767351e+01 1.94 1.450289259e+01 1.450289259e+01 1.96 1.297492245e+01 1.297492245e+01 1.98 1.153913175e+01 1.153913175e+01 2.00 1.019137510e+01 1.019137510e+01 2.02 8.927603826e+00 8.927603826e+00 2.04 7.743943861e+00 7.743943861e+00 2.06 6.636664078e+00 6.636664078e+00 2.08 5.602127042e+00 5.602127042e+00 2.10 4.636812373e+00 4.636812373e+00 2.12 3.737075096e+00 3.737075096e+00 2.14 2.900191960e+00 2.900191960e+00 2.16 2.123309829e+00 2.123309829e+00 2.18 1.403934815e+00 1.403934815e+00 2.20 7.390403222e-01 7.390403222e-01 2.22 1.255819917e-01 1.255819917e-01 2.24 -4.390428052e-01 -4.390428052e-01 2.26 -9.573496838e-01 -9.573496838e-01 2.28 -1.431775305e+00 -1.431775305e+00 2.30 -1.864695924e+00 -1.864695924e+00 2.32 -2.258110962e+00 -2.258110962e+00 2.34 -2.614314504e+00 -2.614314504e+00 2.36 -2.935457614e+00 -2.935457614e+00 2.38 -3.223602241e+00 -3.223602241e+00 2.40 -3.480760653e+00 -3.480760653e+00 2.42 -3.708828826e+00 -3.708828826e+00 2.44 -3.909556619e+00 -3.909556619e+00 2.46 -4.084758969e+00 -4.084758969e+00 2.48 -4.236113186e+00 -4.236113186e+00 2.50 -4.365229838e+00 -4.365229838e+00 2.52 -4.474030962e+00 -4.474030962e+00 2.54 -4.563833094e+00 -4.563833094e+00 2.56 -4.635854909e+00 -4.635854909e+00 2.58 -4.691262720e+00 -4.691262720e+00 2.60 -4.731178708e+00 -4.731178708e+00 2.62 -4.757152081e+00 -4.757152081e+00 2.64 -4.770334012e+00 -4.770334012e+00 2.66 -4.771980186e+00 -4.771980186e+00 2.68 -4.763158986e+00 -4.763158986e+00 2.70 -4.744665722e+00 -4.744665722e+00 2.72 -4.717417211e+00 -4.717417211e+00 2.74 -4.682275469e+00 -4.682275469e+00 2.76 -4.640043649e+00 -4.640043649e+00 2.78 -4.591881324e+00 -4.591881324e+00 2.80 -4.538276539e+00 -4.538276539e+00 2.82 -4.479201789e+00 -4.479201789e+00 2.84 -4.415757122e+00 -4.415757122e+00 2.86 -4.348495823e+00 -4.348495823e+00 2.88 -4.277938044e+00 -4.277938044e+00 2.90 -4.204579233e+00 -4.204579233e+00 2.92 -4.129017368e+00 -4.129017368e+00 2.94 -4.050958928e+00 -4.050958928e+00 2.96 -3.970467323e+00 -3.970467323e+00 2.98 -3.888782407e+00 -3.888782407e+00 3.00 -3.806205099e+00 -3.806205099e+00 3.02 -3.723014499e+00 -3.723014499e+00 3.04 -3.639461194e+00 -3.639461194e+00 3.06 -3.555771238e+00 -3.555771238e+00 3.08 -3.472147594e+00 -3.472147594e+00 3.10 -3.388773259e+00 -3.388773259e+00 3.12 -3.305727790e+00 -3.305727790e+00 3.14 -3.223238112e+00 -3.223238112e+00 3.16 -3.141441238e+00 -3.141441238e+00 3.18 -3.060451179e+00 -3.060451179e+00 3.20 -2.980368498e+00 -2.980368498e+00 3.22 -2.901281284e+00 -2.901281284e+00 3.24 -2.823253291e+00 -2.823253291e+00 3.26 -2.747027712e+00 -2.747027712e+00 3.28 -2.672185577e+00 -2.672185577e+00 3.30 -2.598541463e+00 -2.598541463e+00 3.32 -2.526137886e+00 -2.526137886e+00 3.34 -2.455011294e+00 -2.455011294e+00 3.36 -2.385191726e+00 -2.385191726e+00 3.38 -2.316703006e+00 -2.316703006e+00 3.40 -2.249568263e+00 -2.249568263e+00 3.42 -2.183854668e+00 -2.183854668e+00 3.44 -2.119502642e+00 -2.119502642e+00 3.46 -2.056548208e+00 -2.056548208e+00 3.48 -1.994995055e+00 -1.994995055e+00 3.50 -1.934713249e+00 -1.934713249e+00 3.52 -1.875629815e+00 -1.875629815e+00 3.54 -1.817742491e+00 -1.817742491e+00 3.56 -1.761037784e+00 -1.761037784e+00 3.58 -1.705565536e+00 -1.705565536e+00 3.60 -1.651430782e+00 -1.651430782e+00 3.62 -1.598681024e+00 -1.598681024e+00 3.64 -1.547276693e+00 -1.547276693e+00 3.66 -1.497184590e+00 -1.497184590e+00 3.68 -1.448377600e+00 -1.448377600e+00 3.70 -1.400834678e+00 -1.400834678e+00 3.72 -1.354537097e+00 -1.354537097e+00 3.74 -1.309470264e+00 -1.309470264e+00 3.76 -1.265610382e+00 -1.265610382e+00 3.78 -1.222920172e+00 -1.222920172e+00 3.80 -1.181378938e+00 -1.181378938e+00 3.82 -1.140974279e+00 -1.140974279e+00 3.84 -1.101699852e+00 -1.101699852e+00 3.86 -1.063454225e+00 -1.063454225e+00 3.88 -1.026171526e+00 -1.026171526e+00 3.90 -9.899037636e-01 -9.899037636e-01 3.92 -9.546993965e-01 -9.546993965e-01 3.94 -9.205926852e-01 -9.205926852e-01 3.96 -8.875793423e-01 -8.875793423e-01 3.98 -8.555595240e-01 -8.555595240e-01 4.00 -8.246163279e-01 -8.246163279e-01 4.02 -7.946976321e-01 -7.946976321e-01 4.04 -7.657116357e-01 -7.657116357e-01 4.06 -7.375936812e-01 -7.375936812e-01 4.08 -7.102995724e-01 -7.102995724e-01 4.10 -6.838074000e-01 -6.838074000e-01 4.12 -6.581917779e-01 -6.581917779e-01 4.14 -6.333904875e-01 -6.333904875e-01 4.16 -6.092338847e-01 -6.092338847e-01 4.18 -5.857713415e-01 -5.857713415e-01 4.20 -5.625488270e-01 -5.625488270e-01 4.22 -5.394309272e-01 -5.394309272e-01 4.24 -5.164330126e-01 -5.164330126e-01 4.26 -4.935993163e-01 -4.935993163e-01 4.28 -4.709741684e-01 -4.709741684e-01 4.30 -4.486010095e-01 -4.486010095e-01 4.32 -4.265216072e-01 -4.265216072e-01 4.34 -4.047754128e-01 -4.047754128e-01 4.36 -3.833686623e-01 -3.833686623e-01 4.38 -3.623167741e-01 -3.623167741e-01 4.40 -3.417176735e-01 -3.417176735e-01 4.42 -3.216766615e-01 -3.216766615e-01 4.44 -3.022718758e-01 -3.022718758e-01 4.46 -2.835590806e-01 -2.835590806e-01 4.48 -2.655757085e-01 -2.655757085e-01 4.50 -2.483442598e-01 -2.483442598e-01 4.52 -2.318751567e-01 -2.318751567e-01 4.54 -2.161691366e-01 -2.161691366e-01 4.56 -2.012190614e-01 -2.012190614e-01 4.58 -1.869957731e-01 -1.869957731e-01 4.60 -1.739417979e-01 -1.739417979e-01 4.62 -1.619848885e-01 -1.619848885e-01 4.64 -1.506374382e-01 -1.506374382e-01 4.66 -1.398934461e-01 -1.398934461e-01 4.68 -1.297297608e-01 -1.297297608e-01 4.70 -1.201223951e-01 -1.201223951e-01 4.72 -1.110469874e-01 -1.110469874e-01 4.74 -1.024791198e-01 -1.024791198e-01 4.76 -9.439457202e-02 -9.439457202e-02 4.78 -8.677298941e-02 -8.677298941e-02 4.80 -7.959132028e-02 -7.959132028e-02 4.82 -7.374779279e-02 -7.374779279e-02 4.84 -6.828604435e-02 -6.828604435e-02 4.86 -6.313849837e-02 -6.313849837e-02 4.88 -5.828844733e-02 -5.828844733e-02 4.90 -5.371979172e-02 -5.371979172e-02 4.92 -4.941712217e-02 -4.941712217e-02 4.94 -4.536572368e-02 -4.536572368e-02 4.96 -4.155157158e-02 -4.155157158e-02 4.98 -3.796132166e-02 -3.796132166e-02 5.00 -3.458229555e-02 -3.458229555e-02 5.02 -3.140246346e-02 -3.140246346e-02 5.04 -2.841042377e-02 -2.841042377e-02 5.06 -2.559537977e-02 -2.559537977e-02 5.08 -2.294711623e-02 -2.294711623e-02 5.10 -2.045597510e-02 -2.045597510e-02 5.12 -1.811283098e-02 -1.811283098e-02 5.14 -1.590906634e-02 -1.590906634e-02 5.16 -1.383654681e-02 -1.383654681e-02 5.18 -1.188759727e-02 -1.188759727e-02 5.20 -1.005497839e-02 -1.005497839e-02 5.22 -8.331864173e-03 -8.331864173e-03 5.24 -6.711819568e-03 -6.711819568e-03 5.26 -5.188750592e-03 -5.188750592e-03 5.28 -3.758828640e-03 -3.758828640e-03 5.30 -2.457616780e-03 -2.457616780e-03 5.32 -2.146218817e-03 -2.146218817e-03 5.34 -1.883529496e-03 -1.883529496e-03 5.36 -1.644106086e-03 -1.644106086e-03 5.38 -1.419639405e-03 -1.419639405e-03 5.40 -1.209217430e-03 -1.209217430e-03 5.42 -1.011982323e-03 -1.011982323e-03 5.44 -8.271272801e-04 -8.271272801e-04 5.46 -6.538935812e-04 -6.538935812e-04 5.48 -4.915678077e-04 -4.915678077e-04 5.50 -3.394792252e-04 -3.394792252e-04 5.52 -1.969972755e-04 -1.969972755e-04 5.54 -6.267536912e-05 -6.267536912e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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