# 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 = AlCo2Ta # 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 1.684016645e+02 1.684016645e+02 1.30 1.554905524e+02 1.554905524e+02 1.32 1.435534717e+02 1.435534717e+02 1.34 1.325090099e+02 1.325090099e+02 1.36 1.222847301e+02 1.222847301e+02 1.38 1.128164594e+02 1.128164594e+02 1.40 1.040470593e+02 1.040470593e+02 1.42 9.592494666e+01 9.592494666e+01 1.44 8.840246778e+01 8.840246778e+01 1.46 8.143462330e+01 8.143462330e+01 1.48 7.497856148e+01 7.497856148e+01 1.50 6.899362366e+01 6.899362366e+01 1.52 6.344153224e+01 6.344153224e+01 1.54 5.828668886e+01 5.828668886e+01 1.56 5.349666348e+01 5.349666348e+01 1.58 4.904260707e+01 4.904260707e+01 1.60 4.489919630e+01 4.489919630e+01 1.62 4.104406388e+01 4.104406388e+01 1.64 3.745701509e+01 3.745701509e+01 1.66 3.411938592e+01 3.411938592e+01 1.68 3.101373838e+01 3.101373838e+01 1.70 2.812503001e+01 2.812503001e+01 1.72 2.544226143e+01 2.544226143e+01 1.74 2.295145171e+01 2.295145171e+01 1.76 2.063955679e+01 2.063955679e+01 1.78 1.849617052e+01 1.849617052e+01 1.80 1.651146711e+01 1.651146711e+01 1.82 1.467493966e+01 1.467493966e+01 1.84 1.297701773e+01 1.297701773e+01 1.86 1.140898946e+01 1.140898946e+01 1.88 9.962794553e+00 9.962794553e+00 1.90 8.630777095e+00 8.630777095e+00 1.92 7.405440559e+00 7.405440559e+00 1.94 6.279264555e+00 6.279264555e+00 1.96 5.244642653e+00 5.244642653e+00 1.98 4.293967449e+00 4.293967449e+00 2.00 3.419841288e+00 3.419841288e+00 2.02 2.615348154e+00 2.615348154e+00 2.04 1.874294685e+00 1.874294685e+00 2.06 1.191338027e+00 1.191338027e+00 2.08 5.619714190e-01 5.619714190e-01 2.10 -1.760028037e-02 -1.760028037e-02 2.12 -5.506323897e-01 -5.506323897e-01 2.14 -1.040002547e+00 -1.040002547e+00 2.16 -1.488330578e+00 -1.488330578e+00 2.18 -1.898049919e+00 -1.898049919e+00 2.20 -2.271443644e+00 -2.271443644e+00 2.22 -2.610665709e+00 -2.610665709e+00 2.24 -2.917763361e+00 -2.917763361e+00 2.26 -3.194705888e+00 -3.194705888e+00 2.28 -3.443415549e+00 -3.443415549e+00 2.30 -3.665792312e+00 -3.665792312e+00 2.32 -3.863724699e+00 -3.863724699e+00 2.34 -4.039082211e+00 -4.039082211e+00 2.36 -4.193572169e+00 -4.193572169e+00 2.38 -4.328982274e+00 -4.328982274e+00 2.40 -4.447152390e+00 -4.447152390e+00 2.42 -4.549731926e+00 -4.549731926e+00 2.44 -4.638174254e+00 -4.638174254e+00 2.46 -4.713752715e+00 -4.713752715e+00 2.48 -4.777523376e+00 -4.777523376e+00 2.50 -4.830124625e+00 -4.830124625e+00 2.52 -4.872155753e+00 -4.872155753e+00 2.54 -4.904305083e+00 -4.904305083e+00 2.56 -4.927334992e+00 -4.927334992e+00 2.58 -4.942066449e+00 -4.942066449e+00 2.60 -4.949354820e+00 -4.949354820e+00 2.62 -4.950051604e+00 -4.950051604e+00 2.64 -4.944981045e+00 -4.944981045e+00 2.66 -4.934902772e+00 -4.934902772e+00 2.68 -4.920319696e+00 -4.920319696e+00 2.70 -4.901609002e+00 -4.901609002e+00 2.72 -4.879047955e+00 -4.879047955e+00 2.74 -4.852838109e+00 -4.852838109e+00 2.76 -4.823231302e+00 -4.823231302e+00 2.78 -4.791022480e+00 -4.791022480e+00 2.80 -4.756183719e+00 -4.756183719e+00 2.82 -4.718545153e+00 -4.718545153e+00 2.84 -4.677924931e+00 -4.677924931e+00 2.86 -4.634166473e+00 -4.634166473e+00 2.88 -4.587171183e+00 -4.587171183e+00 2.90 -4.536889289e+00 -4.536889289e+00 2.92 -4.483315390e+00 -4.483315390e+00 2.94 -4.426499349e+00 -4.426499349e+00 2.96 -4.366536647e+00 -4.366536647e+00 2.98 -4.303560034e+00 -4.303560034e+00 3.00 -4.237741428e+00 -4.237741428e+00 3.02 -4.169291561e+00 -4.169291561e+00 3.04 -4.098455247e+00 -4.098455247e+00 3.06 -4.025501243e+00 -4.025501243e+00 3.08 -3.950707328e+00 -3.950707328e+00 3.10 -3.874343537e+00 -3.874343537e+00 3.12 -3.796657185e+00 -3.796657185e+00 3.14 -3.717863251e+00 -3.717863251e+00 3.16 -3.638141892e+00 -3.638141892e+00 3.18 -3.557643012e+00 -3.557643012e+00 3.20 -3.476496004e+00 -3.476496004e+00 3.22 -3.394822087e+00 -3.394822087e+00 3.24 -3.312746570e+00 -3.312746570e+00 3.26 -3.230408872e+00 -3.230408872e+00 3.28 -3.147968766e+00 -3.147968766e+00 3.30 -3.065608102e+00 -3.065608102e+00 3.32 -2.983527917e+00 -2.983527917e+00 3.34 -2.901941522e+00 -2.901941522e+00 3.36 -2.821064661e+00 -2.821064661e+00 3.38 -2.741104204e+00 -2.741104204e+00 3.40 -2.662246960e+00 -2.662246960e+00 3.42 -2.584650041e+00 -2.584650041e+00 3.44 -2.508433840e+00 -2.508433840e+00 3.46 -2.433678242e+00 -2.433678242e+00 3.48 -2.360422110e+00 -2.360422110e+00 3.50 -2.288665722e+00 -2.288665722e+00 3.52 -2.218375550e+00 -2.218375550e+00 3.54 -2.149490656e+00 -2.149490656e+00 3.56 -2.081930038e+00 -2.081930038e+00 3.58 -2.015600365e+00 -2.015600365e+00 3.60 -1.950403676e+00 -1.950403676e+00 3.62 -1.886244773e+00 -1.886244773e+00 3.64 -1.823038111e+00 -1.823038111e+00 3.66 -1.760714005e+00 -1.760714005e+00 3.68 -1.699223975e+00 -1.699223975e+00 3.70 -1.638545009e+00 -1.638545009e+00 3.72 -1.578682444e+00 -1.578682444e+00 3.74 -1.519671209e+00 -1.519671209e+00 3.76 -1.461575160e+00 -1.461575160e+00 3.78 -1.404484405e+00 -1.404484405e+00 3.80 -1.348510633e+00 -1.348510633e+00 3.82 -1.293780712e+00 -1.293780712e+00 3.84 -1.240429011e+00 -1.240429011e+00 3.86 -1.188589071e+00 -1.188589071e+00 3.88 -1.138385335e+00 -1.138385335e+00 3.90 -1.089925657e+00 -1.089925657e+00 3.92 -1.043295192e+00 -1.043295192e+00 3.94 -9.985521069e-01 -9.985521069e-01 3.96 -9.557252680e-01 -9.557252680e-01 3.98 -9.148139745e-01 -9.148139745e-01 4.00 -8.757894609e-01 -8.757894609e-01 4.02 -8.385978675e-01 -8.385978675e-01 4.04 -8.031642785e-01 -8.031642785e-01 4.06 -7.693974279e-01 -7.693974279e-01 4.08 -7.371947191e-01 -7.371947191e-01 4.10 -7.064472630e-01 -7.064472630e-01 4.12 -6.770447687e-01 -6.770447687e-01 4.14 -6.488799933e-01 -6.488799933e-01 4.16 -6.218528129e-01 -6.218528129e-01 4.18 -5.958736564e-01 -5.958736564e-01 4.20 -5.708662356e-01 -5.708662356e-01 4.22 -5.467694185e-01 -5.467694185e-01 4.24 -5.235380972e-01 -5.235380972e-01 4.26 -5.011429266e-01 -5.011429266e-01 4.28 -4.795688783e-01 -4.795688783e-01 4.30 -4.588126737e-01 -4.588126737e-01 4.32 -4.388793011e-01 -4.388793011e-01 4.34 -4.197779656e-01 -4.197779656e-01 4.36 -4.015179177e-01 -4.015179177e-01 4.38 -3.841046267e-01 -3.841046267e-01 4.40 -3.675367016e-01 -3.675367016e-01 4.42 -3.518038247e-01 -3.518038247e-01 4.44 -3.368857903e-01 -3.368857903e-01 4.46 -3.227525781e-01 -3.227525781e-01 4.48 -3.093652618e-01 -3.093652618e-01 4.50 -2.966774934e-01 -2.966774934e-01 4.52 -2.846372887e-01 -2.846372887e-01 4.54 -2.731888784e-01 -2.731888784e-01 4.56 -2.622744496e-01 -2.622744496e-01 4.58 -2.518356672e-01 -2.518356672e-01 4.60 -2.418149302e-01 -2.418149302e-01 4.62 -2.321563636e-01 -2.321563636e-01 4.64 -2.228065829e-01 -2.228065829e-01 4.66 -2.137152868e-01 -2.137152868e-01 4.68 -2.048357387e-01 -2.048357387e-01 4.70 -1.961252009e-01 -1.961252009e-01 4.72 -1.875453710e-01 -1.875453710e-01 4.74 -1.790628614e-01 -1.790628614e-01 4.76 -1.706497409e-01 -1.706497409e-01 4.78 -1.622841393e-01 -1.622841393e-01 4.80 -1.539508846e-01 -1.539508846e-01 4.82 -1.456421552e-01 -1.456421552e-01 4.84 -1.373579866e-01 -1.373579866e-01 4.86 -1.291066560e-01 -1.291066560e-01 4.88 -1.209047512e-01 -1.209047512e-01 4.90 -1.127768565e-01 -1.127768565e-01 4.92 -1.047547773e-01 -1.047547773e-01 4.94 -9.687627229e-02 -9.687627229e-02 4.96 -8.918331820e-02 -8.918331820e-02 4.98 -8.172000004e-02 -8.172000004e-02 5.00 -7.453019144e-02 -7.453019144e-02 5.02 -6.765521438e-02 -6.765521438e-02 5.04 -6.113169396e-02 -6.113169396e-02 5.06 -5.498979658e-02 -5.498979658e-02 5.08 -4.925177540e-02 -4.925177540e-02 5.10 -4.393151002e-02 -4.393151002e-02 5.12 -3.903501725e-02 -3.903501725e-02 5.14 -3.456023887e-02 -3.456023887e-02 5.16 -3.049790849e-02 -3.049790849e-02 5.18 -2.683271103e-02 -2.683271103e-02 5.20 -2.354457365e-02 -2.354457365e-02 5.22 -2.060997117e-02 -2.060997117e-02 5.24 -1.800315315e-02 -1.800315315e-02 5.26 -1.569721349e-02 -1.569721349e-02 5.28 -1.366477530e-02 -1.366477530e-02 5.30 -1.187934501e-02 -1.187934501e-02 5.32 -1.031554491e-02 -1.031554491e-02 5.34 -8.949367729e-03 -8.949367729e-03 5.36 -7.758455482e-03 -7.758455482e-03 5.38 -6.722254252e-03 -6.722254252e-03 5.40 -5.822071935e-03 -5.822071935e-03 5.42 -5.041063237e-03 -5.041063237e-03 5.44 -4.364162875e-03 -4.364162875e-03 5.46 -3.777984194e-03 -3.777984194e-03 5.48 -3.270696840e-03 -3.270696840e-03 5.50 -2.831893877e-03 -2.831893877e-03 5.52 -2.452456022e-03 -2.452456022e-03 5.54 -2.124418398e-03 -2.124418398e-03 5.56 -1.840843425e-03 -1.840843425e-03 5.58 -1.595702107e-03 -1.595702107e-03 5.60 -1.383764938e-03 -1.383764938e-03 5.62 -1.200502923e-03 -1.200502923e-03 5.64 -1.041998677e-03 -1.041998677e-03 5.66 -9.048672425e-04 -9.048672425e-04 5.68 -7.861860169e-04 -7.861860169e-04 5.70 -6.834331056e-04 -6.834331056e-04 5.72 -5.944333161e-04 -5.944333161e-04 5.74 -5.173110327e-04 -5.173110327e-04 5.76 -4.504492193e-04 -4.504492193e-04 5.78 -3.924538467e-04 -3.924538467e-04 5.80 -3.421230900e-04 -3.421230900e-04 5.82 -2.984207035e-04 -2.984207035e-04 5.84 -2.604530385e-04 -2.604530385e-04 5.86 -2.274492271e-04 -2.274492271e-04 5.88 -1.987441112e-04 -1.987441112e-04 5.90 -1.737635466e-04 -1.737635466e-04 5.92 -1.520117577e-04 -1.520117577e-04 5.94 -1.330604604e-04 -1.330604604e-04 5.96 -1.165395083e-04 -1.165395083e-04 5.98 -1.021288495e-04 -1.021288495e-04 6.00 -8.955161028e-05 -8.955161028e-05