# 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 = MgPt2Ti # 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 3.919201076e+02 3.919201076e+02 1.30 3.651739198e+02 3.651739198e+02 1.32 3.402503739e+02 3.402503739e+02 1.34 3.170179362e+02 3.170179362e+02 1.36 2.953559482e+02 2.953559482e+02 1.38 2.751515403e+02 2.751515403e+02 1.40 2.562999402e+02 2.562999402e+02 1.42 2.387053533e+02 2.387053533e+02 1.44 2.222783341e+02 2.222783341e+02 1.46 2.069327828e+02 2.069327828e+02 1.48 1.925871805e+02 1.925871805e+02 1.50 1.791677373e+02 1.791677373e+02 1.52 1.666087721e+02 1.666087721e+02 1.54 1.548501627e+02 1.548501627e+02 1.56 1.438346600e+02 1.438346600e+02 1.58 1.335065627e+02 1.335065627e+02 1.60 1.238116607e+02 1.238116607e+02 1.62 1.146980530e+02 1.146980530e+02 1.64 1.061176755e+02 1.061176755e+02 1.66 9.802821181e+01 9.802821181e+01 1.68 9.039473162e+01 9.039473162e+01 1.70 8.319015178e+01 8.319015178e+01 1.72 7.639383906e+01 7.639383906e+01 1.74 6.998843282e+01 6.998843282e+01 1.76 6.395632191e+01 6.395632191e+01 1.78 5.830513377e+01 5.830513377e+01 1.80 5.309854668e+01 5.309854668e+01 1.82 4.830584377e+01 4.830584377e+01 1.84 4.389248932e+01 4.389248932e+01 1.86 3.982890772e+01 3.982890772e+01 1.88 3.608981748e+01 3.608981748e+01 1.90 3.265263481e+01 3.265263481e+01 1.92 2.949577188e+01 2.949577188e+01 1.94 2.659762443e+01 2.659762443e+01 1.96 2.393659284e+01 2.393659284e+01 1.98 2.149180369e+01 2.149180369e+01 2.00 1.924393133e+01 1.924393133e+01 2.02 1.717568301e+01 1.717568301e+01 2.04 1.527186260e+01 1.527186260e+01 2.06 1.351915442e+01 1.351915442e+01 2.08 1.190580280e+01 1.190580280e+01 2.10 1.042129510e+01 1.042129510e+01 2.12 9.056083231e+00 9.056083231e+00 2.14 7.801366468e+00 7.801366468e+00 2.16 6.648949357e+00 6.648949357e+00 2.18 5.591177814e+00 5.591177814e+00 2.20 4.620931918e+00 4.620931918e+00 2.22 3.731637511e+00 3.731637511e+00 2.24 2.917273363e+00 2.917273363e+00 2.26 2.172364375e+00 2.172364375e+00 2.28 1.491959073e+00 1.491959073e+00 2.30 8.715919267e-01 8.715919267e-01 2.32 3.072249595e-01 3.072249595e-01 2.34 -2.048243812e-01 -2.048243812e-01 2.36 -6.679598352e-01 -6.679598352e-01 2.38 -1.085378888e+00 -1.085378888e+00 2.40 -1.460137629e+00 -1.460137629e+00 2.42 -1.795207643e+00 -1.795207643e+00 2.44 -2.093521247e+00 -2.093521247e+00 2.46 -2.358002584e+00 -2.358002584e+00 2.48 -2.591579387e+00 -2.591579387e+00 2.50 -2.797173372e+00 -2.797173372e+00 2.52 -2.977666271e+00 -2.977666271e+00 2.54 -3.136153386e+00 -3.136153386e+00 2.56 -3.277367479e+00 -3.277367479e+00 2.58 -3.403419285e+00 -3.403419285e+00 2.60 -3.515662945e+00 -3.515662945e+00 2.62 -3.615205716e+00 -3.615205716e+00 2.64 -3.702906733e+00 -3.702906733e+00 2.66 -3.779426961e+00 -3.779426961e+00 2.68 -3.845299324e+00 -3.845299324e+00 2.70 -3.900883787e+00 -3.900883787e+00 2.72 -3.946497160e+00 -3.946497160e+00 2.74 -3.982449032e+00 -3.982449032e+00 2.76 -4.009054246e+00 -4.009054246e+00 2.78 -4.026636705e+00 -4.026636705e+00 2.80 -4.035530304e+00 -4.035530304e+00 2.82 -4.036078950e+00 -4.036078950e+00 2.84 -4.028640696e+00 -4.028640696e+00 2.86 -4.013564456e+00 -4.013564456e+00 2.88 -3.991205450e+00 -3.991205450e+00 2.90 -3.961986790e+00 -3.961986790e+00 2.92 -3.926416195e+00 -3.926416195e+00 2.94 -3.885094461e+00 -3.885094461e+00 2.96 -3.838713044e+00 -3.838713044e+00 2.98 -3.788036666e+00 -3.788036666e+00 3.00 -3.733870280e+00 -3.733870280e+00 3.02 -3.677014189e+00 -3.677014189e+00 3.04 -3.618215049e+00 -3.618215049e+00 3.06 -3.558123368e+00 -3.558123368e+00 3.08 -3.497263122e+00 -3.497263122e+00 3.10 -3.436021489e+00 -3.436021489e+00 3.12 -3.374655016e+00 -3.374655016e+00 3.14 -3.313310659e+00 -3.313310659e+00 3.16 -3.252050813e+00 -3.252050813e+00 3.18 -3.190882329e+00 -3.190882329e+00 3.20 -3.129780526e+00 -3.129780526e+00 3.22 -3.068708116e+00 -3.068708116e+00 3.24 -3.007628425e+00 -3.007628425e+00 3.26 -2.946513635e+00 -2.946513635e+00 3.28 -2.885349181e+00 -2.885349181e+00 3.30 -2.824135329e+00 -2.824135329e+00 3.32 -2.762886833e+00 -2.762886833e+00 3.34 -2.701631376e+00 -2.701631376e+00 3.36 -2.640407421e+00 -2.640407421e+00 3.38 -2.579262616e+00 -2.579262616e+00 3.40 -2.518294753e+00 -2.518294753e+00 3.42 -2.457667246e+00 -2.457667246e+00 3.44 -2.397532028e+00 -2.397532028e+00 3.46 -2.338025070e+00 -2.338025070e+00 3.48 -2.279268883e+00 -2.279268883e+00 3.50 -2.221374510e+00 -2.221374510e+00 3.52 -2.164442731e+00 -2.164442731e+00 3.54 -2.108564351e+00 -2.108564351e+00 3.56 -2.053819975e+00 -2.053819975e+00 3.58 -2.000289915e+00 -2.000289915e+00 3.60 -1.948024796e+00 -1.948024796e+00 3.62 -1.897053401e+00 -1.897053401e+00 3.64 -1.847389603e+00 -1.847389603e+00 3.66 -1.799032166e+00 -1.799032166e+00 3.68 -1.751965676e+00 -1.751965676e+00 3.70 -1.706162403e+00 -1.706162403e+00 3.72 -1.661584769e+00 -1.661584769e+00 3.74 -1.618188047e+00 -1.618188047e+00 3.76 -1.575922959e+00 -1.575922959e+00 3.78 -1.534734562e+00 -1.534734562e+00 3.80 -1.494555354e+00 -1.494555354e+00 3.82 -1.455318811e+00 -1.455318811e+00 3.84 -1.416963934e+00 -1.416963934e+00 3.86 -1.379435594e+00 -1.379435594e+00 3.88 -1.342684663e+00 -1.342684663e+00 3.90 -1.306667929e+00 -1.306667929e+00 3.92 -1.271347797e+00 -1.271347797e+00 3.94 -1.236692523e+00 -1.236692523e+00 3.96 -1.202675364e+00 -1.202675364e+00 3.98 -1.169275098e+00 -1.169275098e+00 4.00 -1.136476084e+00 -1.136476084e+00 4.02 -1.104268617e+00 -1.104268617e+00 4.04 -1.072649378e+00 -1.072649378e+00 4.06 -1.041621864e+00 -1.041621864e+00 4.08 -1.011196632e+00 -1.011196632e+00 4.10 -9.813909843e-01 -9.813909843e-01 4.12 -9.522292505e-01 -9.522292505e-01 4.14 -9.237400827e-01 -9.237400827e-01 4.16 -8.959555435e-01 -8.959555435e-01 4.18 -8.689082875e-01 -8.689082875e-01 4.20 -8.426286121e-01 -8.426286121e-01 4.22 -8.171414011e-01 -8.171414011e-01 4.24 -7.924633189e-01 -7.924633189e-01 4.26 -7.686005930e-01 -7.686005930e-01 4.28 -7.455476434e-01 -7.455476434e-01 4.30 -7.232866742e-01 -7.232866742e-01 4.32 -7.017881922e-01 -7.017881922e-01 4.34 -6.810122864e-01 -6.810122864e-01 4.36 -6.609104174e-01 -6.609104174e-01 4.38 -6.414274432e-01 -6.414274432e-01 4.40 -6.225036374e-01 -6.225036374e-01 4.42 -6.040765171e-01 -6.040765171e-01 4.44 -5.860823736e-01 -5.860823736e-01 4.46 -5.684574719e-01 -5.684574719e-01 4.48 -5.511389436e-01 -5.511389436e-01 4.50 -5.340654365e-01 -5.340654365e-01 4.52 -5.171776077e-01 -5.171776077e-01 4.54 -5.004185559e-01 -5.004185559e-01 4.56 -4.837342823e-01 -4.837342823e-01 4.58 -4.670742657e-01 -4.670742657e-01 4.60 -4.503922130e-01 -4.503922130e-01 4.62 -4.336470327e-01 -4.336470327e-01 4.64 -4.168040466e-01 -4.168040466e-01 4.66 -3.998364258e-01 -3.998364258e-01 4.68 -3.827267989e-01 -3.827267989e-01 4.70 -3.654689369e-01 -3.654689369e-01 4.72 -3.480693793e-01 -3.480693793e-01 4.74 -3.305488220e-01 -3.305488220e-01 4.76 -3.129430675e-01 -3.129430675e-01 4.78 -2.953033268e-01 -2.953033268e-01 4.80 -2.776954792e-01 -2.776954792e-01 4.82 -2.601994660e-01 -2.601994660e-01 4.84 -2.429054373e-01 -2.429054373e-01 4.86 -2.259113333e-01 -2.259113333e-01 4.88 -2.093185485e-01 -2.093185485e-01 4.90 -1.932274589e-01 -1.932274589e-01 4.92 -1.777329371e-01 -1.777329371e-01 4.94 -1.629202400e-01 -1.629202400e-01 4.96 -1.488616125e-01 -1.488616125e-01 4.98 -1.356138463e-01 -1.356138463e-01 5.00 -1.232169133e-01 -1.232169133e-01 5.02 -1.116936620e-01 -1.116936620e-01 5.04 -1.010504589e-01 -1.010504589e-01 5.06 -9.127858504e-02 -9.127858504e-02 5.08 -8.235616517e-02 -8.235616517e-02 5.10 -7.425040775e-02 -7.425040775e-02 5.12 -6.691996167e-02 -6.691996167e-02 5.14 -6.031723235e-02 -6.031723235e-02 5.16 -5.439054236e-02 -5.439054236e-02 5.18 -4.908605949e-02 -4.908605949e-02 5.20 -4.434945115e-02 -4.434945115e-02 5.22 -4.012724091e-02 -4.012724091e-02 5.24 -3.636785302e-02 -3.636785302e-02 5.26 -3.302242521e-02 -3.302242521e-02 5.28 -3.004534984e-02 -3.004534984e-02 5.30 -2.739409419e-02 -2.739409419e-02 5.32 -2.502983253e-02 -2.502983253e-02 5.34 -2.291868631e-02 -2.291868631e-02 5.36 -2.103025913e-02 -2.103025913e-02 5.38 -1.933732017e-02 -1.933732017e-02 5.40 -1.781570355e-02 -1.781570355e-02 5.42 -1.644412928e-02 -1.644412928e-02 5.44 -1.520397145e-02 -1.520397145e-02 5.46 -1.407900055e-02 -1.407900055e-02 5.48 -1.305511882e-02 -1.305511882e-02 5.50 -1.212010201e-02 -1.212010201e-02 5.52 -1.126335712e-02 -1.126335712e-02 5.54 -1.047570222e-02 -1.047570222e-02 5.56 -9.749172549e-03 -9.749172549e-03 5.58 -9.076854300e-03 -9.076854300e-03 5.60 -8.452746002e-03 -8.452746002e-03 5.62 -7.871645380e-03 -7.871645380e-03 5.64 -7.329058281e-03 -7.329058281e-03 5.66 -6.821124974e-03 -6.821124974e-03 5.68 -6.344557511e-03 -6.344557511e-03 5.70 -5.896591695e-03 -5.896591695e-03 5.72 -5.474935340e-03 -5.474935340e-03 5.74 -5.077717439e-03 -5.077717439e-03 5.76 -4.703435540e-03 -4.703435540e-03 5.78 -4.350899464e-03 -4.350899464e-03 5.80 -4.019171658e-03 -4.019171658e-03 5.82 -3.707505764e-03 -3.707505764e-03 5.84 -3.415285848e-03 -3.415285848e-03 5.86 -3.141969262e-03 -3.141969262e-03 5.88 -2.887139993e-03 -2.887139993e-03 5.90 -2.650721821e-03 -2.650721821e-03 5.92 -2.431968987e-03 -2.431968987e-03 5.94 -2.230022956e-03 -2.230022956e-03 5.96 -2.043999545e-03 -2.043999545e-03 5.98 -1.872984510e-03 -1.872984510e-03 6.00 -1.716036069e-03 -1.716036069e-03