# 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 = PtTi2W # 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 3.892878281e+02 3.892878281e+02 1.30 3.618493671e+02 3.618493671e+02 1.32 3.363252430e+02 3.363252430e+02 1.34 3.125987605e+02 3.125987605e+02 1.36 2.905658934e+02 2.905658934e+02 1.38 2.701211482e+02 2.701211482e+02 1.40 2.511511966e+02 2.511511966e+02 1.42 2.335373357e+02 2.335373357e+02 1.44 2.171624547e+02 2.171624547e+02 1.46 2.019178720e+02 2.019178720e+02 1.48 1.877074290e+02 1.877074290e+02 1.50 1.744480674e+02 1.744480674e+02 1.52 1.620676405e+02 1.620676405e+02 1.54 1.505017999e+02 1.505017999e+02 1.56 1.396915387e+02 1.396915387e+02 1.58 1.295817761e+02 1.295817761e+02 1.60 1.201207632e+02 1.201207632e+02 1.62 1.112601518e+02 1.112601518e+02 1.64 1.029555986e+02 1.029555986e+02 1.66 9.516764813e+01 9.516764813e+01 1.68 8.786252709e+01 8.786252709e+01 1.70 8.101236886e+01 8.101236886e+01 1.72 7.459434219e+01 7.459434219e+01 1.74 6.858853756e+01 6.858853756e+01 1.76 6.297533837e+01 6.297533837e+01 1.78 5.773353589e+01 5.773353589e+01 1.80 5.283992205e+01 5.283992205e+01 1.82 4.827008192e+01 4.827008192e+01 1.84 4.399960750e+01 4.399960750e+01 1.86 4.000513791e+01 4.000513791e+01 1.88 3.626544218e+01 3.626544218e+01 1.90 3.276115397e+01 3.276115397e+01 1.92 2.950471894e+01 2.950471894e+01 1.94 2.650374037e+01 2.650374037e+01 1.96 2.373783124e+01 2.373783124e+01 1.98 2.118878344e+01 2.118878344e+01 2.00 1.884010012e+01 1.884010012e+01 2.02 1.667665369e+01 1.667665369e+01 2.04 1.468445350e+01 1.468445350e+01 2.06 1.285049284e+01 1.285049284e+01 2.08 1.116265542e+01 1.116265542e+01 2.10 9.609660298e+00 9.609660298e+00 2.12 8.181019319e+00 8.181019319e+00 2.14 6.866997806e+00 6.866997806e+00 2.16 5.658587293e+00 5.658587293e+00 2.18 4.547498087e+00 4.547498087e+00 2.20 3.526160638e+00 3.526160638e+00 2.22 2.587713123e+00 2.587713123e+00 2.24 1.725963186e+00 1.725963186e+00 2.26 9.353274385e-01 9.353274385e-01 2.28 2.107592795e-01 2.107592795e-01 2.30 -4.523267964e-01 -4.523267964e-01 2.32 -1.058132504e+00 -1.058132504e+00 2.34 -1.610548248e+00 -1.610548248e+00 2.36 -2.113214084e+00 -2.113214084e+00 2.38 -2.569564655e+00 -2.569564655e+00 2.40 -2.982859686e+00 -2.982859686e+00 2.42 -3.356203701e+00 -3.356203701e+00 2.44 -3.692557065e+00 -3.692557065e+00 2.46 -3.994740655e+00 -3.994740655e+00 2.48 -4.265436293e+00 -4.265436293e+00 2.50 -4.507184847e+00 -4.507184847e+00 2.52 -4.722380813e+00 -4.722380813e+00 2.54 -4.913214370e+00 -4.913214370e+00 2.56 -5.081724263e+00 -5.081724263e+00 2.58 -5.229831579e+00 -5.229831579e+00 2.60 -5.359229296e+00 -5.359229296e+00 2.62 -5.471383619e+00 -5.471383619e+00 2.64 -5.567553882e+00 -5.567553882e+00 2.66 -5.648825199e+00 -5.648825199e+00 2.68 -5.716353727e+00 -5.716353727e+00 2.70 -5.772227989e+00 -5.772227989e+00 2.72 -5.817064582e+00 -5.817064582e+00 2.74 -5.851055932e+00 -5.851055932e+00 2.76 -5.874398970e+00 -5.874398970e+00 2.78 -5.887333254e+00 -5.887333254e+00 2.80 -5.890131547e+00 -5.890131547e+00 2.82 -5.883093256e+00 -5.883093256e+00 2.84 -5.866622363e+00 -5.866622363e+00 2.86 -5.841055537e+00 -5.841055537e+00 2.88 -5.806695830e+00 -5.806695830e+00 2.90 -5.763916525e+00 -5.763916525e+00 2.92 -5.713174014e+00 -5.713174014e+00 2.94 -5.655019893e+00 -5.655019893e+00 2.96 -5.590107962e+00 -5.590107962e+00 2.98 -5.519191616e+00 -5.519191616e+00 3.00 -5.443104674e+00 -5.443104674e+00 3.02 -5.362636206e+00 -5.362636206e+00 3.04 -5.278490780e+00 -5.278490780e+00 3.06 -5.191361815e+00 -5.191361815e+00 3.08 -5.101884684e+00 -5.101884684e+00 3.10 -5.010595166e+00 -5.010595166e+00 3.12 -4.917905909e+00 -4.917905909e+00 3.14 -4.824103192e+00 -4.824103192e+00 3.16 -4.729358909e+00 -4.729358909e+00 3.18 -4.633753785e+00 -4.633753785e+00 3.20 -4.537303734e+00 -4.537303734e+00 3.22 -4.439985305e+00 -4.439985305e+00 3.24 -4.341757467e+00 -4.341757467e+00 3.26 -4.242578992e+00 -4.242578992e+00 3.28 -4.142421832e+00 -4.142421832e+00 3.30 -4.041281323e+00 -4.041281323e+00 3.32 -3.939184080e+00 -3.939184080e+00 3.34 -3.836205004e+00 -3.836205004e+00 3.36 -3.732513989e+00 -3.732513989e+00 3.38 -3.628324380e+00 -3.628324380e+00 3.40 -3.523876198e+00 -3.523876198e+00 3.42 -3.419440872e+00 -3.419440872e+00 3.44 -3.315321670e+00 -3.315321670e+00 3.46 -3.211850600e+00 -3.211850600e+00 3.48 -3.109381755e+00 -3.109381755e+00 3.50 -3.008281715e+00 -3.008281715e+00 3.52 -2.908917537e+00 -2.908917537e+00 3.54 -2.811643064e+00 -2.811643064e+00 3.56 -2.716784535e+00 -2.716784535e+00 3.58 -2.624626725e+00 -2.624626725e+00 3.60 -2.535401087e+00 -2.535401087e+00 3.62 -2.449277326e+00 -2.449277326e+00 3.64 -2.366359481e+00 -2.366359481e+00 3.66 -2.286686875e+00 -2.286686875e+00 3.68 -2.210239485e+00 -2.210239485e+00 3.70 -2.136946615e+00 -2.136946615e+00 3.72 -2.066697419e+00 -2.066697419e+00 3.74 -1.999351866e+00 -1.999351866e+00 3.76 -1.934751031e+00 -1.934751031e+00 3.78 -1.872726001e+00 -1.872726001e+00 3.80 -1.813105075e+00 -1.813105075e+00 3.82 -1.755719215e+00 -1.755719215e+00 3.84 -1.700405891e+00 -1.700405891e+00 3.86 -1.647011562e+00 -1.647011562e+00 3.88 -1.595393077e+00 -1.595393077e+00 3.90 -1.545418268e+00 -1.545418268e+00 3.92 -1.496965957e+00 -1.496965957e+00 3.94 -1.449925909e+00 -1.449925909e+00 3.96 -1.404198156e+00 -1.404198156e+00 3.98 -1.359692936e+00 -1.359692936e+00 4.00 -1.316330512e+00 -1.316330512e+00 4.02 -1.274041305e+00 -1.274041305e+00 4.04 -1.232766269e+00 -1.232766269e+00 4.06 -1.192457476e+00 -1.192457476e+00 4.08 -1.153078780e+00 -1.153078780e+00 4.10 -1.114606266e+00 -1.114606266e+00 4.12 -1.077029035e+00 -1.077029035e+00 4.14 -1.040348109e+00 -1.040348109e+00 4.16 -1.004575995e+00 -1.004575995e+00 4.18 -9.697346441e-01 -9.697346441e-01 4.20 -9.358527082e-01 -9.358527082e-01 4.22 -9.029620839e-01 -9.029620839e-01 4.24 -8.710940482e-01 -8.710940482e-01 4.26 -8.402753885e-01 -8.402753885e-01 4.28 -8.105249592e-01 -8.105249592e-01 4.30 -7.818510366e-01 -7.818510366e-01 4.32 -7.542497178e-01 -7.542497178e-01 4.34 -7.277044393e-01 -7.277044393e-01 4.36 -7.021865247e-01 -7.021865247e-01 4.38 -6.776565493e-01 -6.776565493e-01 4.40 -6.540662410e-01 -6.540662410e-01 4.42 -6.313606303e-01 -6.313606303e-01 4.44 -6.094802054e-01 -6.094802054e-01 4.46 -5.883628934e-01 -5.883628934e-01 4.48 -5.679457645e-01 -5.679457645e-01 4.50 -5.481664236e-01 -5.481664236e-01 4.52 -5.289641048e-01 -5.289641048e-01 4.54 -5.102805194e-01 -5.102805194e-01 4.56 -4.920605237e-01 -4.920605237e-01 4.58 -4.742526793e-01 -4.742526793e-01 4.60 -4.568097690e-01 -4.568097690e-01 4.62 -4.396893201e-01 -4.396893201e-01 4.64 -4.228541680e-01 -4.228541680e-01 4.66 -4.062730693e-01 -4.062730693e-01 4.68 -3.899213536e-01 -3.899213536e-01 4.70 -3.737815728e-01 -3.737815728e-01 4.72 -3.578440907e-01 -3.578440907e-01 4.74 -3.421075318e-01 -3.421075318e-01 4.76 -3.265790005e-01 -3.265790005e-01 4.78 -3.112739844e-01 -3.112739844e-01 4.80 -2.962157882e-01 -2.962157882e-01 4.82 -2.814349658e-01 -2.814349658e-01 4.84 -2.669674570e-01 -2.669674570e-01 4.86 -2.528532729e-01 -2.528532729e-01 4.88 -2.391344567e-01 -2.391344567e-01 4.90 -2.258530355e-01 -2.258530355e-01 4.92 -2.130490230e-01 -2.130490230e-01 4.94 -2.007586246e-01 -2.007586246e-01 4.96 -1.890127596e-01 -1.890127596e-01 4.98 -1.778359707e-01 -1.778359707e-01 5.00 -1.672457391e-01 -1.672457391e-01 5.02 -1.572521807e-01 -1.572521807e-01 5.04 -1.478580719e-01 -1.478580719e-01 5.06 -1.390591426e-01 -1.390591426e-01 5.08 -1.308445787e-01 -1.308445787e-01 5.10 -1.231976837e-01 -1.231976837e-01 5.12 -1.160966605e-01 -1.160966605e-01 5.14 -1.095154804e-01 -1.095154804e-01 5.16 -1.034247996e-01 -1.034247996e-01 5.18 -9.779289560e-02 -9.779289560e-02 5.20 -9.258657950e-02 -9.258657950e-02 5.22 -8.777203902e-02 -8.777203902e-02 5.24 -8.331513903e-02 -8.331513903e-02 5.26 -7.918309852e-02 -7.918309852e-02 5.28 -7.534465617e-02 -7.534465617e-02 5.30 -7.177001882e-02 -7.177001882e-02 5.32 -6.843118823e-02 -6.843118823e-02 5.34 -6.530214985e-02 -6.530214985e-02 5.36 -6.235895185e-02 -6.235895185e-02 5.38 -5.957970150e-02 -5.957970150e-02 5.40 -5.694450388e-02 -5.694450388e-02 5.42 -5.443536464e-02 -5.443536464e-02 5.44 -5.203607463e-02 -5.203607463e-02 5.46 -4.973209096e-02 -4.973209096e-02 5.48 -4.751042523e-02 -4.751042523e-02 5.50 -4.535954714e-02 -4.535954714e-02 5.52 -4.326930855e-02 -4.326930855e-02 5.54 -4.123089087e-02 -4.123089087e-02 5.56 -3.923677637e-02 -3.923677637e-02 5.58 -3.728074156e-02 -3.728074156e-02 5.60 -3.535786859e-02 -3.535786859e-02 5.62 -3.346456845e-02 -3.346456845e-02 5.64 -3.159860708e-02 -3.159860708e-02 5.66 -2.975912405e-02 -2.975912405e-02 5.68 -2.794663162e-02 -2.794663162e-02 5.70 -2.616298184e-02 -2.616298184e-02 5.72 -2.441129025e-02 -2.441129025e-02 5.74 -2.269580727e-02 -2.269580727e-02 5.76 -2.102173282e-02 -2.102173282e-02 5.78 -1.939497366e-02 -1.939497366e-02 5.80 -1.782185991e-02 -1.782185991e-02 5.82 -1.630882416e-02 -1.630882416e-02 5.84 -1.486206788e-02 -1.486206788e-02 5.86 -1.348724149e-02 -1.348724149e-02 5.88 -1.218916032e-02 -1.218916032e-02 5.90 -1.097157717e-02 -1.097157717e-02 5.92 -9.837133821e-03 -9.837133821e-03 5.94 -8.787320435e-03 -8.787320435e-03 5.96 -7.821900269e-03 -7.821900269e-03 5.98 -6.939445894e-03 -6.939445894e-03 6.00 -6.137492191e-03 -6.137492191e-03