# 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 = Al2CuTi # 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 1.164398189e+02 1.164398189e+02 1.30 1.079578671e+02 1.079578671e+02 1.32 1.000961246e+02 1.000961246e+02 1.34 9.280670583e+01 9.280670583e+01 1.36 8.604437720e+01 8.604437720e+01 1.38 7.976796788e+01 7.976796788e+01 1.40 7.394050843e+01 7.394050843e+01 1.42 6.852813146e+01 6.852813146e+01 1.44 6.349862225e+01 6.349862225e+01 1.46 5.882061292e+01 5.882061292e+01 1.48 5.446411940e+01 5.446411940e+01 1.50 5.040213245e+01 5.040213245e+01 1.52 4.661184333e+01 4.661184333e+01 1.54 4.307441835e+01 4.307441835e+01 1.56 3.977371130e+01 3.977371130e+01 1.58 3.669496147e+01 3.669496147e+01 1.60 3.382404640e+01 3.382404640e+01 1.62 3.114724395e+01 3.114724395e+01 1.64 2.865131362e+01 2.865131362e+01 1.66 2.632314225e+01 2.632314225e+01 1.68 2.414990619e+01 2.414990619e+01 1.70 2.212076496e+01 2.212076496e+01 1.72 2.022780234e+01 2.022780234e+01 1.74 1.846164108e+01 1.846164108e+01 1.76 1.681391273e+01 1.681391273e+01 1.78 1.527702137e+01 1.527702137e+01 1.80 1.384389923e+01 1.384389923e+01 1.82 1.250795375e+01 1.250795375e+01 1.84 1.126309426e+01 1.126309426e+01 1.86 1.010372156e+01 1.010372156e+01 1.88 9.024639906e+00 9.024639906e+00 1.90 8.020917051e+00 8.020917051e+00 1.92 7.087739016e+00 7.087739016e+00 1.94 6.220310373e+00 6.220310373e+00 1.96 5.413843389e+00 5.413843389e+00 1.98 4.663651492e+00 4.663651492e+00 2.00 3.965317346e+00 3.965317346e+00 2.02 3.314866857e+00 3.314866857e+00 2.04 2.708872274e+00 2.708872274e+00 2.06 2.144441971e+00 2.144441971e+00 2.08 1.619114139e+00 1.619114139e+00 2.10 1.130712277e+00 1.130712277e+00 2.12 6.772161877e-01 6.772161877e-01 2.14 2.566748370e-01 2.566748370e-01 2.16 -1.328361943e-01 -1.328361943e-01 2.18 -4.932219855e-01 -4.932219855e-01 2.20 -8.263534335e-01 -8.263534335e-01 2.22 -1.134043614e+00 -1.134043614e+00 2.24 -1.418023331e+00 -1.418023331e+00 2.26 -1.679918964e+00 -1.679918964e+00 2.28 -1.921233706e+00 -1.921233706e+00 2.30 -2.143333273e+00 -2.143333273e+00 2.32 -2.347439138e+00 -2.347439138e+00 2.34 -2.534627841e+00 -2.534627841e+00 2.36 -2.705836690e+00 -2.705836690e+00 2.38 -2.861876425e+00 -2.861876425e+00 2.40 -3.003453660e+00 -3.003453660e+00 2.42 -3.131203238e+00 -3.131203238e+00 2.44 -3.245726100e+00 -3.245726100e+00 2.46 -3.347626267e+00 -3.347626267e+00 2.48 -3.437540809e+00 -3.437540809e+00 2.50 -3.516160281e+00 -3.516160281e+00 2.52 -3.584283994e+00 -3.584283994e+00 2.54 -3.642718575e+00 -3.642718575e+00 2.56 -3.692292448e+00 -3.692292448e+00 2.58 -3.733894003e+00 -3.733894003e+00 2.60 -3.768448788e+00 -3.768448788e+00 2.62 -3.796882306e+00 -3.796882306e+00 2.64 -3.820071344e+00 -3.820071344e+00 2.66 -3.838793467e+00 -3.838793467e+00 2.68 -3.853651850e+00 -3.853651850e+00 2.70 -3.865196721e+00 -3.865196721e+00 2.72 -3.873686872e+00 -3.873686872e+00 2.74 -3.879096070e+00 -3.879096070e+00 2.76 -3.882293496e+00 -3.882293496e+00 2.78 -3.883478105e+00 -3.883478105e+00 2.80 -3.882182030e+00 -3.882182030e+00 2.82 -3.878015225e+00 -3.878015225e+00 2.84 -3.870659110e+00 -3.870659110e+00 2.86 -3.859862057e+00 -3.859862057e+00 2.88 -3.845444585e+00 -3.845444585e+00 2.90 -3.827297719e+00 -3.827297719e+00 2.92 -3.805369333e+00 -3.805369333e+00 2.94 -3.779675056e+00 -3.779675056e+00 2.96 -3.750308914e+00 -3.750308914e+00 2.98 -3.717425063e+00 -3.717425063e+00 3.00 -3.681239914e+00 -3.681239914e+00 3.02 -3.642033864e+00 -3.642033864e+00 3.04 -3.600147001e+00 -3.600147001e+00 3.06 -3.555966552e+00 -3.555966552e+00 3.08 -3.509905322e+00 -3.509905322e+00 3.10 -3.462374974e+00 -3.462374974e+00 3.12 -3.413758541e+00 -3.413758541e+00 3.14 -3.364388159e+00 -3.364388159e+00 3.16 -3.314531056e+00 -3.314531056e+00 3.18 -3.264385758e+00 -3.264385758e+00 3.20 -3.214086385e+00 -3.214086385e+00 3.22 -3.163712511e+00 -3.163712511e+00 3.24 -3.113301506e+00 -3.113301506e+00 3.26 -3.062860983e+00 -3.062860983e+00 3.28 -3.012379870e+00 -3.012379870e+00 3.30 -2.961837489e+00 -2.961837489e+00 3.32 -2.911210581e+00 -2.911210581e+00 3.34 -2.860478534e+00 -2.860478534e+00 3.36 -2.809627144e+00 -2.809627144e+00 3.38 -2.758651237e+00 -2.758651237e+00 3.40 -2.707556387e+00 -2.707556387e+00 3.42 -2.656360026e+00 -2.656360026e+00 3.44 -2.605091807e+00 -2.605091807e+00 3.46 -2.553793630e+00 -2.553793630e+00 3.48 -2.502519041e+00 -2.502519041e+00 3.50 -2.451332037e+00 -2.451332037e+00 3.52 -2.400305132e+00 -2.400305132e+00 3.54 -2.349516608e+00 -2.349516608e+00 3.56 -2.299047004e+00 -2.299047004e+00 3.58 -2.248975092e+00 -2.248975092e+00 3.60 -2.199373844e+00 -2.199373844e+00 3.62 -2.150306989e+00 -2.150306989e+00 3.64 -2.101826704e+00 -2.101826704e+00 3.66 -2.053972780e+00 -2.053972780e+00 3.68 -2.006773234e+00 -2.006773234e+00 3.70 -1.960246085e+00 -1.960246085e+00 3.72 -1.914401825e+00 -1.914401825e+00 3.74 -1.869246083e+00 -1.869246083e+00 3.76 -1.824782049e+00 -1.824782049e+00 3.78 -1.781012346e+00 -1.781012346e+00 3.80 -1.737940163e+00 -1.737940163e+00 3.82 -1.695569571e+00 -1.695569571e+00 3.84 -1.653905071e+00 -1.653905071e+00 3.86 -1.612950517e+00 -1.612950517e+00 3.88 -1.572707648e+00 -1.572707648e+00 3.90 -1.533174514e+00 -1.533174514e+00 3.92 -1.494344067e+00 -1.494344067e+00 3.94 -1.456203296e+00 -1.456203296e+00 3.96 -1.418732653e+00 -1.418732653e+00 3.98 -1.381906337e+00 -1.381906337e+00 4.00 -1.345692955e+00 -1.345692955e+00 4.02 -1.310056596e+00 -1.310056596e+00 4.04 -1.274958170e+00 -1.274958170e+00 4.06 -1.240356892e+00 -1.240356892e+00 4.08 -1.206211845e+00 -1.206211845e+00 4.10 -1.172483520e+00 -1.172483520e+00 4.12 -1.139135824e+00 -1.139135824e+00 4.14 -1.106137292e+00 -1.106137292e+00 4.16 -1.073463254e+00 -1.073463254e+00 4.18 -1.041097523e+00 -1.041097523e+00 4.20 -1.009034102e+00 -1.009034102e+00 4.22 -9.772786187e-01 -9.772786187e-01 4.24 -9.458493247e-01 -9.458493247e-01 4.26 -9.147774340e-01 -9.147774340e-01 4.28 -8.841066284e-01 -8.841066284e-01 4.30 -8.538916174e-01 -8.538916174e-01 4.32 -8.241957552e-01 -8.241957552e-01 4.34 -7.950878424e-01 -7.950878424e-01 4.36 -7.666383639e-01 -7.666383639e-01 4.38 -7.389154985e-01 -7.389154985e-01 4.40 -7.119812651e-01 -7.119812651e-01 4.42 -6.858881379e-01 -6.858881379e-01 4.44 -6.606763808e-01 -6.606763808e-01 4.46 -6.363722452e-01 -6.363722452e-01 4.48 -6.129870672e-01 -6.129870672e-01 4.50 -5.905172118e-01 -5.905172118e-01 4.52 -5.689447538e-01 -5.689447538e-01 4.54 -5.482387462e-01 -5.482387462e-01 4.56 -5.283569206e-01 -5.283569206e-01 4.58 -5.092476648e-01 -5.092476648e-01 4.60 -4.908521345e-01 -4.908521345e-01 4.62 -4.731063845e-01 -4.731063845e-01 4.64 -4.559434255e-01 -4.559434255e-01 4.66 -4.392951484e-01 -4.392951484e-01 4.68 -4.230940869e-01 -4.230940869e-01 4.70 -4.072750149e-01 -4.072750149e-01 4.72 -3.917763978e-01 -3.917763978e-01 4.74 -3.765417250e-01 -3.765417250e-01 4.76 -3.615207525e-01 -3.615207525e-01 4.78 -3.466706779e-01 -3.466706779e-01 4.80 -3.319571972e-01 -3.319571972e-01 4.82 -3.173557390e-01 -3.173557390e-01 4.84 -3.028520225e-01 -3.028520225e-01 4.86 -2.884429711e-01 -2.884429711e-01 4.88 -2.741370369e-01 -2.741370369e-01 4.90 -2.599541857e-01 -2.599541857e-01 4.92 -2.459253883e-01 -2.459253883e-01 4.94 -2.320915490e-01 -2.320915490e-01 4.96 -2.185018467e-01 -2.185018467e-01 4.98 -2.052115255e-01 -2.052115255e-01 5.00 -1.922792379e-01 -1.922792379e-01 5.02 -1.797641082e-01 -1.797641082e-01 5.04 -1.677227316e-01 -1.677227316e-01 5.06 -1.562063453e-01 -1.562063453e-01 5.08 -1.452583967e-01 -1.452583967e-01 5.10 -1.349126909e-01 -1.349126909e-01 5.12 -1.251922317e-01 -1.251922317e-01 5.14 -1.161087917e-01 -1.161087917e-01 5.16 -1.076631679e-01 -1.076631679e-01 5.18 -9.984601981e-02 -9.984601981e-02 5.20 -9.263914096e-02 -9.263914096e-02 5.22 -8.601700420e-02 -8.601700420e-02 5.24 -7.994842303e-02 -7.994842303e-02 5.26 -7.439819609e-02 -7.439819609e-02 5.28 -6.932863294e-02 -6.932863294e-02 5.30 -6.470089169e-02 -6.470089169e-02 5.32 -6.047609555e-02 -6.047609555e-02 5.34 -5.661621993e-02 -5.661621993e-02 5.36 -5.308475501e-02 -5.308475501e-02 5.38 -4.984695651e-02 -4.984695651e-02 5.40 -4.687046149e-02 -4.687046149e-02 5.42 -4.412570114e-02 -4.412570114e-02 5.44 -4.158555506e-02 -4.158555506e-02 5.46 -3.922528961e-02 -3.922528961e-02 5.48 -3.702253343e-02 -3.702253343e-02 5.50 -3.495720573e-02 -3.495720573e-02 5.52 -3.301141919e-02 -3.301141919e-02 5.54 -3.116937423e-02 -3.116937423e-02 5.56 -2.941725218e-02 -2.941725218e-02 5.58 -2.774311931e-02 -2.774311931e-02 5.60 -2.613684144e-02 -2.613684144e-02 5.62 -2.459000838e-02 -2.459000838e-02 5.64 -2.309586527e-02 -2.309586527e-02 5.66 -2.164924513e-02 -2.164924513e-02 5.68 -2.024649520e-02 -2.024649520e-02 5.70 -1.888538882e-02 -1.888538882e-02 5.72 -1.756501474e-02 -1.756501474e-02 5.74 -1.628563751e-02 -1.628563751e-02 5.76 -1.504852196e-02 -1.504852196e-02 5.78 -1.385556454e-02 -1.385556454e-02 5.80 -1.270936202e-02 -1.270936202e-02 5.82 -1.161294117e-02 -1.161294117e-02 5.84 -1.056937443e-02 -1.056937443e-02 5.86 -9.581532005e-03 -9.581532005e-03 5.88 -8.651861240e-03 -8.651861240e-03 5.90 -7.782207793e-03 -7.782207793e-03 5.92 -6.973688674e-03 -6.973688674e-03 5.94 -6.226622255e-03 -6.226622255e-03 5.96 -5.540514548e-03 -5.540514548e-03 5.98 -4.914096011e-03 -4.914096011e-03 6.00 -4.345399288e-03 -4.345399288e-03