# 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 = AuMoTi2 # 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 3.175063734e+02 3.175063734e+02 1.30 2.943447106e+02 2.943447106e+02 1.32 2.728932579e+02 2.728932579e+02 1.34 2.530232326e+02 2.530232326e+02 1.36 2.346154471e+02 2.346154471e+02 1.38 2.175578195e+02 2.175578195e+02 1.40 2.017445421e+02 2.017445421e+02 1.42 1.870762470e+02 1.870762470e+02 1.44 1.734605306e+02 1.734605306e+02 1.46 1.608124338e+02 1.608124338e+02 1.48 1.490547367e+02 1.490547367e+02 1.50 1.381180197e+02 1.381180197e+02 1.52 1.279403120e+02 1.279403120e+02 1.54 1.184662672e+02 1.184662672e+02 1.56 1.096460374e+02 1.096460374e+02 1.58 1.014340798e+02 1.014340798e+02 1.60 9.378817798e+01 9.378817798e+01 1.62 8.666887884e+01 8.666887884e+01 1.64 8.003928599e+01 8.003928599e+01 1.66 7.386499449e+01 7.386499449e+01 1.68 6.811406959e+01 6.811406959e+01 1.70 6.275705881e+01 6.275705881e+01 1.72 5.776692905e+01 5.776692905e+01 1.74 5.311878158e+01 5.311878158e+01 1.76 4.878938357e+01 4.878938357e+01 1.78 4.475674205e+01 4.475674205e+01 1.80 4.099990492e+01 4.099990492e+01 1.82 3.749900583e+01 3.749900583e+01 1.84 3.423597125e+01 3.423597125e+01 1.86 3.120408610e+01 3.120408610e+01 1.88 2.839082090e+01 2.839082090e+01 1.90 2.578057663e+01 2.578057663e+01 1.92 2.335917462e+01 2.335917462e+01 1.94 2.111360574e+01 2.111360574e+01 1.96 1.903180534e+01 1.903180534e+01 1.98 1.710248789e+01 1.710248789e+01 2.00 1.531504497e+01 1.531504497e+01 2.02 1.365948415e+01 1.365948415e+01 2.04 1.212638480e+01 1.212638480e+01 2.06 1.070686606e+01 1.070686606e+01 2.08 9.392577536e+00 9.392577536e+00 2.10 8.175715454e+00 8.175715454e+00 2.12 7.049046583e+00 7.049046583e+00 2.14 6.005918694e+00 6.005918694e+00 2.16 5.040247283e+00 5.040247283e+00 2.18 4.146480072e+00 4.146480072e+00 2.20 3.319545736e+00 3.319545736e+00 2.22 2.554794188e+00 2.554794188e+00 2.24 1.847939730e+00 1.847939730e+00 2.26 1.195017376e+00 1.195017376e+00 2.28 5.923557870e-01 5.923557870e-01 2.30 3.656159256e-02 3.656159256e-02 2.32 -4.754967332e-01 -4.754967332e-01 2.34 -9.467097944e-01 -9.467097944e-01 2.36 -1.379752403e+00 -1.379752403e+00 2.38 -1.777108613e+00 -1.777108613e+00 2.40 -2.141094963e+00 -2.141094963e+00 2.42 -2.473881811e+00 -2.473881811e+00 2.44 -2.777511954e+00 -2.777511954e+00 2.46 -3.053915946e+00 -3.053915946e+00 2.48 -3.304922636e+00 -3.304922636e+00 2.50 -3.532264600e+00 -3.532264600e+00 2.52 -3.737578830e+00 -3.737578830e+00 2.54 -3.922404271e+00 -3.922404271e+00 2.56 -4.088178766e+00 -4.088178766e+00 2.58 -4.236237812e+00 -4.236237812e+00 2.60 -4.367816236e+00 -4.367816236e+00 2.62 -4.484043934e+00 -4.484043934e+00 2.64 -4.585854122e+00 -4.585854122e+00 2.66 -4.674266318e+00 -4.674266318e+00 2.68 -4.750269290e+00 -4.750269290e+00 2.70 -4.814762214e+00 -4.814762214e+00 2.72 -4.868566032e+00 -4.868566032e+00 2.74 -4.912488968e+00 -4.912488968e+00 2.76 -4.947265765e+00 -4.947265765e+00 2.78 -4.973434807e+00 -4.973434807e+00 2.80 -4.991495692e+00 -4.991495692e+00 2.82 -5.001800690e+00 -5.001800690e+00 2.84 -5.004637504e+00 -5.004637504e+00 2.86 -5.000309452e+00 -5.000309452e+00 2.88 -4.989176815e+00 -4.989176815e+00 2.90 -4.971610890e+00 -4.971610890e+00 2.92 -4.947682006e+00 -4.947682006e+00 2.94 -4.917424130e+00 -4.917424130e+00 2.96 -4.880960089e+00 -4.880960089e+00 2.98 -4.838500408e+00 -4.838500408e+00 3.00 -4.790338379e+00 -4.790338379e+00 3.02 -4.736833004e+00 -4.736833004e+00 3.04 -4.678391119e+00 -4.678391119e+00 3.06 -4.615459532e+00 -4.615459532e+00 3.08 -4.548497366e+00 -4.548497366e+00 3.10 -4.477947080e+00 -4.477947080e+00 3.12 -4.404210303e+00 -4.404210303e+00 3.14 -4.327633503e+00 -4.327633503e+00 3.16 -4.248503355e+00 -4.248503355e+00 3.18 -4.167051822e+00 -4.167051822e+00 3.20 -4.083466520e+00 -4.083466520e+00 3.22 -3.997903762e+00 -3.997903762e+00 3.24 -3.910501814e+00 -3.910501814e+00 3.26 -3.821393084e+00 -3.821393084e+00 3.28 -3.730714679e+00 -3.730714679e+00 3.30 -3.638617273e+00 -3.638617273e+00 3.32 -3.545272290e+00 -3.545272290e+00 3.34 -3.450877386e+00 -3.450877386e+00 3.36 -3.355660067e+00 -3.355660067e+00 3.38 -3.259879227e+00 -3.259879227e+00 3.40 -3.163824383e+00 -3.163824383e+00 3.42 -3.067812650e+00 -3.067812650e+00 3.44 -2.972183185e+00 -2.972183185e+00 3.46 -2.877289908e+00 -2.877289908e+00 3.48 -2.783492524e+00 -2.783492524e+00 3.50 -2.691146471e+00 -2.691146471e+00 3.52 -2.600592218e+00 -2.600592218e+00 3.54 -2.512144351e+00 -2.512144351e+00 3.56 -2.426080962e+00 -2.426080962e+00 3.58 -2.342634075e+00 -2.342634075e+00 3.60 -2.261982086e+00 -2.261982086e+00 3.62 -2.184245224e+00 -2.184245224e+00 3.64 -2.109484819e+00 -2.109484819e+00 3.66 -2.037706542e+00 -2.037706542e+00 3.68 -1.968867123e+00 -1.968867123e+00 3.70 -1.902883440e+00 -1.902883440e+00 3.72 -1.839642664e+00 -1.839642664e+00 3.74 -1.779012210e+00 -1.779012210e+00 3.76 -1.720848603e+00 -1.720848603e+00 3.78 -1.665004743e+00 -1.665004743e+00 3.80 -1.611335438e+00 -1.611335438e+00 3.82 -1.559701298e+00 -1.559701298e+00 3.84 -1.509971233e+00 -1.509971233e+00 3.86 -1.462023833e+00 -1.462023833e+00 3.88 -1.415747920e+00 -1.415747920e+00 3.90 -1.371042486e+00 -1.371042486e+00 3.92 -1.327816192e+00 -1.327816192e+00 3.94 -1.285986873e+00 -1.285986873e+00 3.96 -1.245480368e+00 -1.245480368e+00 3.98 -1.206229873e+00 -1.206229873e+00 4.00 -1.168175008e+00 -1.168175008e+00 4.02 -1.131261018e+00 -1.131261018e+00 4.04 -1.095438061e+00 -1.095438061e+00 4.06 -1.060660610e+00 -1.060660610e+00 4.08 -1.026886982e+00 -1.026886982e+00 4.10 -9.940788571e-01 -9.940788571e-01 4.12 -9.622016284e-01 -9.622016284e-01 4.14 -9.312233706e-01 -9.312233706e-01 4.16 -9.011154438e-01 -9.011154438e-01 4.18 -8.718523306e-01 -8.718523306e-01 4.20 -8.434116518e-01 -8.434116518e-01 4.22 -8.157741410e-01 -8.157741410e-01 4.24 -7.889235306e-01 -7.889235306e-01 4.26 -7.628463074e-01 -7.628463074e-01 4.28 -7.375313093e-01 -7.375313093e-01 4.30 -7.129691559e-01 -7.129691559e-01 4.32 -6.891515359e-01 -6.891515359e-01 4.34 -6.660703990e-01 -6.660703990e-01 4.36 -6.437171258e-01 -6.437171258e-01 4.38 -6.220817566e-01 -6.220817566e-01 4.40 -6.011523598e-01 -6.011523598e-01 4.42 -5.809145968e-01 -5.809145968e-01 4.44 -5.613515162e-01 -5.613515162e-01 4.46 -5.424435720e-01 -5.424435720e-01 4.48 -5.241688376e-01 -5.241688376e-01 4.50 -5.065033629e-01 -5.065033629e-01 4.52 -4.894216181e-01 -4.894216181e-01 4.54 -4.728969674e-01 -4.728969674e-01 4.56 -4.569021301e-01 -4.569021301e-01 4.58 -4.414095968e-01 -4.414095968e-01 4.60 -4.263919868e-01 -4.263919868e-01 4.62 -4.118223438e-01 -4.118223438e-01 4.64 -3.976743774e-01 -3.976743774e-01 4.66 -3.839226640e-01 -3.839226640e-01 4.68 -3.705428230e-01 -3.705428230e-01 4.70 -3.575116873e-01 -3.575116873e-01 4.72 -3.448074817e-01 -3.448074817e-01 4.74 -3.324100244e-01 -3.324100244e-01 4.76 -3.203009584e-01 -3.203009584e-01 4.78 -3.084640176e-01 -3.084640176e-01 4.80 -2.968852404e-01 -2.968852404e-01 4.82 -2.855536326e-01 -2.855536326e-01 4.84 -2.744609441e-01 -2.744609441e-01 4.86 -2.636023391e-01 -2.636023391e-01 4.88 -2.529765256e-01 -2.529765256e-01 4.90 -2.425858802e-01 -2.425858802e-01 4.92 -2.324364246e-01 -2.324364246e-01 4.94 -2.225376133e-01 -2.225376133e-01 4.96 -2.129019037e-01 -2.129019037e-01 4.98 -2.035440963e-01 -2.035440963e-01 5.00 -1.944804617e-01 -1.944804617e-01 5.02 -1.857276984e-01 -1.857276984e-01 5.04 -1.773017927e-01 -1.773017927e-01 5.06 -1.692168780e-01 -1.692168780e-01 5.08 -1.614841946e-01 -1.614841946e-01 5.10 -1.541112481e-01 -1.541112481e-01 5.12 -1.471012366e-01 -1.471012366e-01 5.14 -1.404527926e-01 -1.404527926e-01 5.16 -1.341600371e-01 -1.341600371e-01 5.18 -1.282129091e-01 -1.282129091e-01 5.20 -1.225975050e-01 -1.225975050e-01 5.22 -1.172968809e-01 -1.172968809e-01 5.24 -1.122925246e-01 -1.122925246e-01 5.26 -1.075643133e-01 -1.075643133e-01 5.28 -1.030912109e-01 -1.030912109e-01 5.30 -9.885189563e-02 -9.885189563e-02 5.32 -9.482526553e-02 -9.482526553e-02 5.34 -9.099082112e-02 -9.099082112e-02 5.36 -8.732893730e-02 -8.732893730e-02 5.38 -8.382104123e-02 -8.382104123e-02 5.40 -8.044971626e-02 -8.044971626e-02 5.42 -7.719875230e-02 -7.719875230e-02 5.44 -7.405316124e-02 -7.405316124e-02 5.46 -7.099917405e-02 -7.099917405e-02 5.48 -6.802423337e-02 -6.802423337e-02 5.50 -6.511699232e-02 -6.511699232e-02 5.52 -6.226732771e-02 -6.226732771e-02 5.54 -5.946637264e-02 -5.946637264e-02 5.56 -5.670657053e-02 -5.670657053e-02 5.58 -5.398174980e-02 -5.398174980e-02 5.60 -5.128721452e-02 -5.128721452e-02 5.62 -4.861984354e-02 -4.861984354e-02 5.64 -4.597818652e-02 -4.597818652e-02 5.66 -4.336254225e-02 -4.336254225e-02 5.68 -4.077500492e-02 -4.077500492e-02 5.70 -3.821945650e-02 -3.821945650e-02 5.72 -3.570149136e-02 -3.570149136e-02 5.74 -3.322825987e-02 -3.322825987e-02 5.76 -3.080822390e-02 -3.080822390e-02 5.78 -2.845082684e-02 -2.845082684e-02 5.80 -2.616608458e-02 -2.616608458e-02 5.82 -2.396412870e-02 -2.396412870e-02 5.84 -2.185472674e-02 -2.185472674e-02 5.86 -1.984681362e-02 -1.984681362e-02 5.88 -1.794807170e-02 -1.794807170e-02 5.90 -1.616459127e-02 -1.616459127e-02 5.92 -1.450053137e-02 -1.450053137e-02 5.94 -1.295796478e-02 -1.295796478e-02 5.96 -1.153743145e-02 -1.153743145e-02 5.98 -1.023759131e-02 -1.023759131e-02 6.00 -9.055386602e-03 -9.055386602e-03