# 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 = AuCuNi2 # 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 4.309969204e+02 4.309969204e+02 1.00 3.926906230e+02 3.926906230e+02 1.02 3.579511827e+02 3.579511827e+02 1.04 3.264284466e+02 3.264284466e+02 1.06 2.978093166e+02 2.978093166e+02 1.08 2.718116087e+02 2.718116087e+02 1.10 2.481833351e+02 2.481833351e+02 1.12 2.266951129e+02 2.266951129e+02 1.14 2.071413822e+02 2.071413822e+02 1.16 1.893459080e+02 1.893459080e+02 1.18 1.731428316e+02 1.731428316e+02 1.20 1.583872745e+02 1.583872745e+02 1.22 1.449397516e+02 1.449397516e+02 1.24 1.326833303e+02 1.326833303e+02 1.26 1.215054274e+02 1.215054274e+02 1.28 1.113053537e+02 1.113053537e+02 1.30 1.019955510e+02 1.019955510e+02 1.32 9.349190427e+01 9.349190427e+01 1.34 8.571935708e+01 8.571935708e+01 1.36 7.861259638e+01 7.861259638e+01 1.38 7.211047959e+01 7.211047959e+01 1.40 6.615690264e+01 6.615690264e+01 1.42 6.070281064e+01 6.070281064e+01 1.44 5.570469436e+01 5.570469436e+01 1.46 5.111957361e+01 5.111957361e+01 1.48 4.691001058e+01 4.691001058e+01 1.50 4.304470036e+01 4.304470036e+01 1.52 3.949378488e+01 3.949378488e+01 1.54 3.622935676e+01 3.622935676e+01 1.56 3.322700215e+01 3.322700215e+01 1.58 3.046412848e+01 3.046412848e+01 1.60 2.792028023e+01 2.792028023e+01 1.62 2.557595401e+01 2.557595401e+01 1.64 2.341490040e+01 2.341490040e+01 1.66 2.142129139e+01 2.142129139e+01 1.68 1.958167284e+01 1.958167284e+01 1.70 1.788422030e+01 1.788422030e+01 1.72 1.631604652e+01 1.631604652e+01 1.74 1.486872956e+01 1.486872956e+01 1.76 1.353212089e+01 1.353212089e+01 1.78 1.229891496e+01 1.229891496e+01 1.80 1.115981173e+01 1.115981173e+01 1.82 1.005403102e+01 1.005403102e+01 1.84 9.050138196e+00 9.050138196e+00 1.86 8.092290575e+00 8.092290575e+00 1.88 7.178566781e+00 7.178566781e+00 1.90 6.310652913e+00 6.310652913e+00 1.92 5.487641153e+00 5.487641153e+00 1.94 4.709006141e+00 4.709006141e+00 1.96 3.973701046e+00 3.973701046e+00 1.98 3.280047404e+00 3.280047404e+00 2.00 2.627417345e+00 2.627417345e+00 2.02 2.015034459e+00 2.015034459e+00 2.04 1.441658221e+00 1.441658221e+00 2.06 9.059979443e-01 9.059979443e-01 2.08 4.066949251e-01 4.066949251e-01 2.10 -5.658328628e-02 -5.658328628e-02 2.12 -4.863480044e-01 -4.863480044e-01 2.14 -8.839758773e-01 -8.839758773e-01 2.16 -1.251055486e+00 -1.251055486e+00 2.18 -1.588783917e+00 -1.588783917e+00 2.20 -1.898422553e+00 -1.898422553e+00 2.22 -2.181434581e+00 -2.181434581e+00 2.24 -2.439051392e+00 -2.439051392e+00 2.26 -2.671878666e+00 -2.671878666e+00 2.28 -2.881845579e+00 -2.881845579e+00 2.30 -3.070278135e+00 -3.070278135e+00 2.32 -3.238382017e+00 -3.238382017e+00 2.34 -3.387063828e+00 -3.387063828e+00 2.36 -3.517508639e+00 -3.517508639e+00 2.38 -3.630992400e+00 -3.630992400e+00 2.40 -3.728658912e+00 -3.728658912e+00 2.42 -3.811894176e+00 -3.811894176e+00 2.44 -3.881299557e+00 -3.881299557e+00 2.46 -3.937820029e+00 -3.937820029e+00 2.48 -3.982196692e+00 -3.982196692e+00 2.50 -4.015503974e+00 -4.015503974e+00 2.52 -4.039132455e+00 -4.039132455e+00 2.54 -4.053609729e+00 -4.053609729e+00 2.56 -4.059400940e+00 -4.059400940e+00 2.58 -4.057194496e+00 -4.057194496e+00 2.60 -4.048245261e+00 -4.048245261e+00 2.62 -4.032678228e+00 -4.032678228e+00 2.64 -4.010910701e+00 -4.010910701e+00 2.66 -3.983565980e+00 -3.983565980e+00 2.68 -3.951174199e+00 -3.951174199e+00 2.70 -3.914231440e+00 -3.914231440e+00 2.72 -3.873200780e+00 -3.873200780e+00 2.74 -3.828225329e+00 -3.828225329e+00 2.76 -3.779326035e+00 -3.779326035e+00 2.78 -3.727634766e+00 -3.727634766e+00 2.80 -3.673425771e+00 -3.673425771e+00 2.82 -3.616271352e+00 -3.616271352e+00 2.84 -3.557281196e+00 -3.557281196e+00 2.86 -3.496732486e+00 -3.496732486e+00 2.88 -3.434872352e+00 -3.434872352e+00 2.90 -3.371942458e+00 -3.371942458e+00 2.92 -3.308291392e+00 -3.308291392e+00 2.94 -3.243962866e+00 -3.243962866e+00 2.96 -3.179709946e+00 -3.179709946e+00 2.98 -3.114941722e+00 -3.114941722e+00 3.00 -3.049725099e+00 -3.049725099e+00 3.02 -2.984444920e+00 -2.984444920e+00 3.04 -2.919396823e+00 -2.919396823e+00 3.06 -2.854753849e+00 -2.854753849e+00 3.08 -2.790348450e+00 -2.790348450e+00 3.10 -2.726278026e+00 -2.726278026e+00 3.12 -2.662627009e+00 -2.662627009e+00 3.14 -2.599471399e+00 -2.599471399e+00 3.16 -2.536879412e+00 -2.536879412e+00 3.18 -2.474912087e+00 -2.474912087e+00 3.20 -2.413623833e+00 -2.413623833e+00 3.22 -2.353062901e+00 -2.353062901e+00 3.24 -2.293271906e+00 -2.293271906e+00 3.26 -2.234288473e+00 -2.234288473e+00 3.28 -2.176143327e+00 -2.176143327e+00 3.30 -2.118874848e+00 -2.118874848e+00 3.32 -2.062493824e+00 -2.062493824e+00 3.34 -2.006983477e+00 -2.006983477e+00 3.36 -1.952306691e+00 -1.952306691e+00 3.38 -1.898424180e+00 -1.898424180e+00 3.40 -1.845486636e+00 -1.845486636e+00 3.42 -1.793789480e+00 -1.793789480e+00 3.44 -1.742958158e+00 -1.742958158e+00 3.46 -1.692823121e+00 -1.692823121e+00 3.48 -1.643538631e+00 -1.643538631e+00 3.50 -1.595272622e+00 -1.595272622e+00 3.52 -1.548023024e+00 -1.548023024e+00 3.54 -1.501764064e+00 -1.501764064e+00 3.56 -1.456469185e+00 -1.456469185e+00 3.58 -1.412114092e+00 -1.412114092e+00 3.60 -1.368684301e+00 -1.368684301e+00 3.62 -1.326177702e+00 -1.326177702e+00 3.64 -1.284601696e+00 -1.284601696e+00 3.66 -1.243967413e+00 -1.243967413e+00 3.68 -1.204256985e+00 -1.204256985e+00 3.70 -1.165453164e+00 -1.165453164e+00 3.72 -1.127551672e+00 -1.127551672e+00 3.74 -1.090548499e+00 -1.090548499e+00 3.76 -1.054430189e+00 -1.054430189e+00 3.78 -1.019118229e+00 -1.019118229e+00 3.80 -9.846000487e-01 -9.846000487e-01 3.82 -9.509053082e-01 -9.509053082e-01 3.84 -9.180650478e-01 -9.180650478e-01 3.86 -8.861260077e-01 -8.861260077e-01 3.88 -8.551241830e-01 -8.551241830e-01 3.90 -8.251254808e-01 -8.251254808e-01 3.92 -7.961432866e-01 -7.961432866e-01 3.94 -7.679191246e-01 -7.679191246e-01 3.96 -7.403054422e-01 -7.403054422e-01 3.98 -7.132469720e-01 -7.132469720e-01 4.00 -6.867133277e-01 -6.867133277e-01 4.02 -6.606923754e-01 -6.606923754e-01 4.04 -6.351849466e-01 -6.351849466e-01 4.06 -6.102006746e-01 -6.102006746e-01 4.08 -5.858714558e-01 -5.858714558e-01 4.10 -5.621453050e-01 -5.621453050e-01 4.12 -5.387826091e-01 -5.387826091e-01 4.14 -5.156844557e-01 -5.156844557e-01 4.16 -4.928971814e-01 -4.928971814e-01 4.18 -4.711002983e-01 -4.711002983e-01 4.20 -4.495423469e-01 -4.495423469e-01 4.22 -4.282663627e-01 -4.282663627e-01 4.24 -4.072982349e-01 -4.072982349e-01 4.26 -3.866631007e-01 -3.866631007e-01 4.28 -3.663472379e-01 -3.663472379e-01 4.30 -3.471932454e-01 -3.471932454e-01 4.32 -3.286928385e-01 -3.286928385e-01 4.34 -3.104917364e-01 -3.104917364e-01 4.36 -2.927000777e-01 -2.927000777e-01 4.38 -2.753968724e-01 -2.753968724e-01 4.40 -2.586408632e-01 -2.586408632e-01 4.42 -2.424740159e-01 -2.424740159e-01 4.44 -2.269244591e-01 -2.269244591e-01 4.46 -2.120089775e-01 -2.120089775e-01 4.48 -1.977351266e-01 -1.977351266e-01 4.50 -1.841030057e-01 -1.841030057e-01 4.52 -1.711067517e-01 -1.711067517e-01 4.54 -1.587357929e-01 -1.587357929e-01 4.56 -1.469759031e-01 -1.469759031e-01 4.58 -1.358100716e-01 -1.358100716e-01 4.60 -1.252192266e-01 -1.252192266e-01 4.62 -1.151828355e-01 -1.151828355e-01 4.64 -1.056793981e-01 -1.056793981e-01 4.66 -9.668684780e-02 -9.668684780e-02 4.68 -8.818287634e-02 -8.818287634e-02 4.70 -8.014519790e-02 -8.014519790e-02 4.72 -7.255175519e-02 -7.255175519e-02 4.74 -6.538088323e-02 -6.538088323e-02 4.76 -5.861143751e-02 -5.861143751e-02 4.78 -5.222856978e-02 -5.222856978e-02 4.80 -4.621449474e-02 -4.621449474e-02 4.82 -4.200422361e-02 -4.200422361e-02 4.84 -3.808592112e-02 -3.808592112e-02 4.86 -3.438720807e-02 -3.438720807e-02 4.88 -3.089664751e-02 -3.089664751e-02 4.90 -2.760315601e-02 -2.760315601e-02 4.92 -2.449571948e-02 -2.449571948e-02 4.94 -2.151616883e-02 -2.151616883e-02 4.96 -1.939763752e-02 -1.939763752e-02 4.98 -1.807378164e-02 -1.807378164e-02 5.00 -1.678169148e-02 -1.678169148e-02 5.02 -1.556418236e-02 -1.556418236e-02 5.04 -1.441740669e-02 -1.441740669e-02 5.06 -1.333738051e-02 -1.333738051e-02 5.08 -1.232033573e-02 -1.232033573e-02 5.10 -1.136270930e-02 -1.136270930e-02 5.12 -1.046113283e-02 -1.046113283e-02 5.14 -9.612422563e-03 -9.612422563e-03 5.16 -8.813569687e-03 -8.813569687e-03 5.18 -8.061731202e-03 -8.061731202e-03 5.20 -7.354221199e-03 -7.354221199e-03 5.22 -6.688502581e-03 -6.688502581e-03 5.24 -6.062179060e-03 -6.062179060e-03 5.26 -5.472987600e-03 -5.472987600e-03 5.28 -4.918791260e-03 -4.918791260e-03 5.30 -4.397572433e-03 -4.397572433e-03 5.32 -3.907426398e-03 -3.907426398e-03 5.34 -3.446555139e-03 -3.446555139e-03 5.36 -3.013261548e-03 -3.013261548e-03 5.38 -2.605943933e-03 -2.605943933e-03 5.40 -2.223090856e-03 -2.223090856e-03 5.42 -1.863276157e-03 -1.863276157e-03 5.44 -1.525154266e-03 -1.525154266e-03 5.46 -1.207455783e-03 -1.207455783e-03 5.48 -9.089833086e-04 -9.089833086e-04 5.50 -6.286075030e-04 -6.286075030e-04 5.52 -3.652632973e-04 -3.652632973e-04 5.54 -1.163588219e-04 -1.163588219e-04 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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