# 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 = AgCuPt2 # 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 7.896342566e+02 7.896342566e+02 1.00 7.217918071e+02 7.217918071e+02 1.02 6.601373805e+02 6.601373805e+02 1.04 6.040734426e+02 6.040734426e+02 1.06 5.530648932e+02 5.530648932e+02 1.08 5.066326486e+02 5.066326486e+02 1.10 4.643499102e+02 4.643499102e+02 1.12 4.258289198e+02 4.258289198e+02 1.14 3.907186032e+02 3.907186032e+02 1.16 3.587003534e+02 3.587003534e+02 1.18 3.294903469e+02 3.294903469e+02 1.20 3.028287808e+02 3.028287808e+02 1.22 2.784803488e+02 2.784803488e+02 1.24 2.562357416e+02 2.562357416e+02 1.26 2.359010551e+02 2.359010551e+02 1.28 2.173015660e+02 2.173015660e+02 1.30 2.002754092e+02 2.002754092e+02 1.32 1.846802202e+02 1.846802202e+02 1.34 1.703868873e+02 1.703868873e+02 1.36 1.572761877e+02 1.572761877e+02 1.38 1.452399137e+02 1.452399137e+02 1.40 1.341818370e+02 1.341818370e+02 1.42 1.240122915e+02 1.240122915e+02 1.44 1.146515497e+02 1.146515497e+02 1.46 1.060278229e+02 1.060278229e+02 1.48 9.807605237e+01 9.807605237e+01 1.50 9.073643784e+01 9.073643784e+01 1.52 8.395505528e+01 8.395505528e+01 1.54 7.768280931e+01 7.768280931e+01 1.56 7.187538467e+01 7.187538467e+01 1.58 6.649270776e+01 6.649270776e+01 1.60 6.150008650e+01 6.150008650e+01 1.62 5.686463934e+01 5.686463934e+01 1.64 5.255697199e+01 5.255697199e+01 1.66 4.855035311e+01 4.855035311e+01 1.68 4.482034621e+01 4.482034621e+01 1.70 4.134468870e+01 4.134468870e+01 1.72 3.810332076e+01 3.810332076e+01 1.74 3.507816873e+01 3.507816873e+01 1.76 3.225214152e+01 3.225214152e+01 1.78 2.960945620e+01 2.960945620e+01 1.80 2.713764546e+01 2.713764546e+01 1.82 2.482466301e+01 2.482466301e+01 1.84 2.266279258e+01 2.266279258e+01 1.86 2.064178009e+01 2.064178009e+01 1.88 1.875759242e+01 1.875759242e+01 1.90 1.698469941e+01 1.698469941e+01 1.92 1.533045353e+01 1.533045353e+01 1.94 1.379173994e+01 1.379173994e+01 1.96 1.234687780e+01 1.234687780e+01 1.98 1.099057197e+01 1.099057197e+01 2.00 9.718088109e+00 9.718088109e+00 2.02 8.525055390e+00 8.525055390e+00 2.04 7.407484789e+00 7.407484789e+00 2.06 6.361629693e+00 6.361629693e+00 2.08 5.383935254e+00 5.383935254e+00 2.10 4.471179592e+00 4.471179592e+00 2.12 3.619757589e+00 3.619757589e+00 2.14 2.827098994e+00 2.827098994e+00 2.16 2.090383139e+00 2.090383139e+00 2.18 1.407040944e+00 1.407040944e+00 2.20 7.745080883e-01 7.745080883e-01 2.22 1.902145843e-01 1.902145843e-01 2.24 -3.482701605e-01 -3.482701605e-01 2.26 -8.432960105e-01 -8.432960105e-01 2.28 -1.297140462e+00 -1.297140462e+00 2.30 -1.711526530e+00 -1.711526530e+00 2.32 -2.088428799e+00 -2.088428799e+00 2.34 -2.430574811e+00 -2.430574811e+00 2.36 -2.739869178e+00 -2.739869178e+00 2.38 -3.018223060e+00 -3.018223060e+00 2.40 -3.267500664e+00 -3.267500664e+00 2.42 -3.489472575e+00 -3.489472575e+00 2.44 -3.685800991e+00 -3.685800991e+00 2.46 -3.858099091e+00 -3.858099091e+00 2.48 -4.007980342e+00 -4.007980342e+00 2.50 -4.137066165e+00 -4.137066165e+00 2.52 -4.246489018e+00 -4.246489018e+00 2.54 -4.337415746e+00 -4.337415746e+00 2.56 -4.411458251e+00 -4.411458251e+00 2.58 -4.469450522e+00 -4.469450522e+00 2.60 -4.513719523e+00 -4.513719523e+00 2.62 -4.544910415e+00 -4.544910415e+00 2.64 -4.563835339e+00 -4.563835339e+00 2.66 -4.571657385e+00 -4.571657385e+00 2.68 -4.569334604e+00 -4.569334604e+00 2.70 -4.557598245e+00 -4.557598245e+00 2.72 -4.537292696e+00 -4.537292696e+00 2.74 -4.509213968e+00 -4.509213968e+00 2.76 -4.474105730e+00 -4.474105730e+00 2.78 -4.433059562e+00 -4.433059562e+00 2.80 -4.386562144e+00 -4.386562144e+00 2.82 -4.334967997e+00 -4.334967997e+00 2.84 -4.278851077e+00 -4.278851077e+00 2.86 -4.218744021e+00 -4.218744021e+00 2.88 -4.154598133e+00 -4.154598133e+00 2.90 -4.087240890e+00 -4.087240890e+00 2.92 -4.017489201e+00 -4.017489201e+00 2.94 -3.945608286e+00 -3.945608286e+00 2.96 -3.870654597e+00 -3.870654597e+00 2.98 -3.793877699e+00 -3.793877699e+00 3.00 -3.715992469e+00 -3.715992469e+00 3.02 -3.637270512e+00 -3.637270512e+00 3.04 -3.558135673e+00 -3.558135673e+00 3.06 -3.478867635e+00 -3.478867635e+00 3.08 -3.399424790e+00 -3.399424790e+00 3.10 -3.319997641e+00 -3.319997641e+00 3.12 -3.240762682e+00 -3.240762682e+00 3.14 -3.161787544e+00 -3.161787544e+00 3.16 -3.083276326e+00 -3.083276326e+00 3.18 -3.005369887e+00 -3.005369887e+00 3.20 -2.928177354e+00 -2.928177354e+00 3.22 -2.851795742e+00 -2.851795742e+00 3.24 -2.776298198e+00 -2.776298198e+00 3.26 -2.702423457e+00 -2.702423457e+00 3.28 -2.629770607e+00 -2.629770607e+00 3.30 -2.558167808e+00 -2.558167808e+00 3.32 -2.487666401e+00 -2.487666401e+00 3.34 -2.418311471e+00 -2.418311471e+00 3.36 -2.350141094e+00 -2.350141094e+00 3.38 -2.283187198e+00 -2.283187198e+00 3.40 -2.217479512e+00 -2.217479512e+00 3.42 -2.153094056e+00 -2.153094056e+00 3.44 -2.089993958e+00 -2.089993958e+00 3.46 -2.028162901e+00 -2.028162901e+00 3.48 -1.967587768e+00 -1.967587768e+00 3.50 -1.908237120e+00 -1.908237120e+00 3.52 -1.850077178e+00 -1.850077178e+00 3.54 -1.793164488e+00 -1.793164488e+00 3.56 -1.737552873e+00 -1.737552873e+00 3.58 -1.683154580e+00 -1.683154580e+00 3.60 -1.629873170e+00 -1.629873170e+00 3.62 -1.577723295e+00 -1.577723295e+00 3.64 -1.526808906e+00 -1.526808906e+00 3.66 -1.477202455e+00 -1.477202455e+00 3.68 -1.428879340e+00 -1.428879340e+00 3.70 -1.381806546e+00 -1.381806546e+00 3.72 -1.335958681e+00 -1.335958681e+00 3.74 -1.291306469e+00 -1.291306469e+00 3.76 -1.247834165e+00 -1.247834165e+00 3.78 -1.205531841e+00 -1.205531841e+00 3.80 -1.164379350e+00 -1.164379350e+00 3.82 -1.124335068e+00 -1.124335068e+00 3.84 -1.085374117e+00 -1.085374117e+00 3.86 -1.047488601e+00 -1.047488601e+00 3.88 -1.010657437e+00 -1.010657437e+00 3.90 -9.748568368e-01 -9.748568368e-01 3.92 -9.400063992e-01 -9.400063992e-01 3.94 -9.060637723e-01 -9.060637723e-01 3.96 -8.730843811e-01 -8.730843811e-01 3.98 -8.410651522e-01 -8.410651522e-01 4.00 -8.098997184e-01 -8.098997184e-01 4.02 -7.796806262e-01 -7.796806262e-01 4.04 -7.504928593e-01 -7.504928593e-01 4.06 -7.224716833e-01 -7.224716833e-01 4.08 -6.956197348e-01 -6.956197348e-01 4.10 -6.697924432e-01 -6.697924432e-01 4.12 -6.449044851e-01 -6.449044851e-01 4.14 -6.209722843e-01 -6.209722843e-01 4.16 -5.977392356e-01 -5.977392356e-01 4.18 -5.749575573e-01 -5.749575573e-01 4.20 -5.524508332e-01 -5.524508332e-01 4.22 -5.300995873e-01 -5.300995873e-01 4.24 -5.078292851e-01 -5.078292851e-01 4.26 -4.856001938e-01 -4.856001938e-01 4.28 -4.633531168e-01 -4.633531168e-01 4.30 -4.416172038e-01 -4.416172038e-01 4.32 -4.202472446e-01 -4.202472446e-01 4.34 -3.990974186e-01 -3.990974186e-01 4.36 -3.782164111e-01 -3.782164111e-01 4.38 -3.576632838e-01 -3.576632838e-01 4.40 -3.375470433e-01 -3.375470433e-01 4.42 -3.179671507e-01 -3.179671507e-01 4.44 -2.989976121e-01 -2.989976121e-01 4.46 -2.806914311e-01 -2.806914311e-01 4.48 -2.630843743e-01 -2.630843743e-01 4.50 -2.461981383e-01 -2.461981383e-01 4.52 -2.300430179e-01 -2.300430179e-01 4.54 -2.146201440e-01 -2.146201440e-01 4.56 -1.999231643e-01 -1.999231643e-01 4.58 -1.859239190e-01 -1.859239190e-01 4.60 -1.730691322e-01 -1.730691322e-01 4.62 -1.612891390e-01 -1.612891390e-01 4.64 -1.500946311e-01 -1.500946311e-01 4.66 -1.394806749e-01 -1.394806749e-01 4.68 -1.294252525e-01 -1.294252525e-01 4.70 -1.199056204e-01 -1.199056204e-01 4.72 -1.108987278e-01 -1.108987278e-01 4.74 -1.023814994e-01 -1.023814994e-01 4.76 -9.433106305e-02 -9.433106305e-02 4.78 -8.672492335e-02 -8.672492335e-02 4.80 -7.953932122e-02 -7.953932122e-02 4.82 -7.280731283e-02 -7.280731283e-02 4.84 -6.647244315e-02 -6.647244315e-02 4.86 -6.049270055e-02 -6.049270055e-02 4.88 -5.484931467e-02 -5.484931467e-02 4.90 -4.952429805e-02 -4.952429805e-02 4.92 -4.450007987e-02 -4.450007987e-02 4.94 -3.971583380e-02 -3.971583380e-02 4.96 -3.584379695e-02 -3.584379695e-02 4.98 -3.281984647e-02 -3.281984647e-02 5.00 -2.993196228e-02 -2.993196228e-02 5.02 -2.721367265e-02 -2.721367265e-02 5.04 -2.465560506e-02 -2.465560506e-02 5.06 -2.224856601e-02 -2.224856601e-02 5.08 -1.998385751e-02 -1.998385751e-02 5.10 -1.785325591e-02 -1.785325591e-02 5.12 -1.584899068e-02 -1.584899068e-02 5.14 -1.396372311e-02 -1.396372311e-02 5.16 -1.219052512e-02 -1.219052512e-02 5.18 -1.052285883e-02 -1.052285883e-02 5.20 -8.954556620e-03 -8.954556620e-03 5.22 -7.479801947e-03 -7.479801947e-03 5.24 -6.093110395e-03 -6.093110395e-03 5.26 -4.789288243e-03 -4.789288243e-03 5.28 -3.565003391e-03 -3.565003391e-03 5.30 -2.449108906e-03 -2.449108906e-03 5.32 -2.144874101e-03 -2.144874101e-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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