# 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 = Al2TiW # 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 1.936607200e+02 1.936607200e+02 1.30 1.796239385e+02 1.796239385e+02 1.32 1.666249396e+02 1.666249396e+02 1.34 1.545798113e+02 1.545798113e+02 1.36 1.434114311e+02 1.434114311e+02 1.38 1.330501508e+02 1.330501508e+02 1.40 1.234333844e+02 1.234333844e+02 1.42 1.145039780e+02 1.145039780e+02 1.44 1.062083706e+02 1.062083706e+02 1.46 9.849559637e+01 9.849559637e+01 1.48 9.131773546e+01 9.131773546e+01 1.50 8.463144836e+01 8.463144836e+01 1.52 7.839918164e+01 7.839918164e+01 1.54 7.258897772e+01 7.258897772e+01 1.56 6.717318939e+01 6.717318939e+01 1.58 6.212698509e+01 6.212698509e+01 1.60 5.742715055e+01 5.742715055e+01 1.62 5.305127390e+01 5.305127390e+01 1.64 4.897726342e+01 4.897726342e+01 1.66 4.518319475e+01 4.518319475e+01 1.68 4.164758026e+01 4.164758026e+01 1.70 3.835003743e+01 3.835003743e+01 1.72 3.527201352e+01 3.527201352e+01 1.74 3.239733658e+01 3.239733658e+01 1.76 2.971214978e+01 2.971214978e+01 1.78 2.720387059e+01 2.720387059e+01 1.80 2.486131447e+01 2.486131447e+01 1.82 2.267429191e+01 2.267429191e+01 1.84 2.063358672e+01 2.063358672e+01 1.86 1.873303050e+01 1.873303050e+01 1.88 1.696662535e+01 1.696662535e+01 1.90 1.532643762e+01 1.532643762e+01 1.92 1.380472577e+01 1.380472577e+01 1.94 1.239381038e+01 1.239381038e+01 1.96 1.108602602e+01 1.108602602e+01 1.98 9.873780190e+00 9.873780190e+00 2.00 8.749705953e+00 8.749705953e+00 2.02 7.706847850e+00 7.706847850e+00 2.04 6.738797774e+00 6.738797774e+00 2.06 5.839726041e+00 5.839726041e+00 2.08 5.004317063e+00 5.004317063e+00 2.10 4.227668365e+00 4.227668365e+00 2.12 3.505211631e+00 3.505211631e+00 2.14 2.832683435e+00 2.832683435e+00 2.16 2.206140915e+00 2.206140915e+00 2.18 1.621998611e+00 1.621998611e+00 2.20 1.077058930e+00 1.077058930e+00 2.22 5.685164236e-01 5.685164236e-01 2.24 9.393262198e-02 9.393262198e-02 2.26 -3.488080613e-01 -3.488080613e-01 2.28 -7.615468290e-01 -7.615468290e-01 2.30 -1.145893880e+00 -1.145893880e+00 2.32 -1.503267193e+00 -1.503267193e+00 2.34 -1.834927828e+00 -1.834927828e+00 2.36 -2.142003254e+00 -2.142003254e+00 2.38 -2.425471101e+00 -2.425471101e+00 2.40 -2.686367018e+00 -2.686367018e+00 2.42 -2.925706363e+00 -2.925706363e+00 2.44 -3.144483625e+00 -3.144483625e+00 2.46 -3.343696136e+00 -3.343696136e+00 2.48 -3.524361595e+00 -3.524361595e+00 2.50 -3.687529855e+00 -3.687529855e+00 2.52 -3.834290029e+00 -3.834290029e+00 2.54 -3.965742607e+00 -3.965742607e+00 2.56 -4.082839733e+00 -4.082839733e+00 2.58 -4.186526479e+00 -4.186526479e+00 2.60 -4.277808644e+00 -4.277808644e+00 2.62 -4.357718284e+00 -4.357718284e+00 2.64 -4.427264500e+00 -4.427264500e+00 2.66 -4.487381615e+00 -4.487381615e+00 2.68 -4.538934819e+00 -4.538934819e+00 2.70 -4.582547970e+00 -4.582547970e+00 2.72 -4.618677146e+00 -4.618677146e+00 2.74 -4.647674115e+00 -4.647674115e+00 2.76 -4.669815463e+00 -4.669815463e+00 2.78 -4.685332740e+00 -4.685332740e+00 2.80 -4.694437806e+00 -4.694437806e+00 2.82 -4.697321749e+00 -4.697321749e+00 2.84 -4.694068602e+00 -4.694068602e+00 2.86 -4.684753288e+00 -4.684753288e+00 2.88 -4.669496221e+00 -4.669496221e+00 2.90 -4.648464030e+00 -4.648464030e+00 2.92 -4.621871294e+00 -4.621871294e+00 2.94 -4.590161756e+00 -4.590161756e+00 2.96 -4.554902025e+00 -4.554902025e+00 2.98 -4.516262469e+00 -4.516262469e+00 3.00 -4.474184514e+00 -4.474184514e+00 3.02 -4.428720809e+00 -4.428720809e+00 3.04 -4.380019346e+00 -4.380019346e+00 3.06 -4.328302867e+00 -4.328302867e+00 3.08 -4.273842646e+00 -4.273842646e+00 3.10 -4.216931484e+00 -4.216931484e+00 3.12 -4.157877875e+00 -4.157877875e+00 3.14 -4.096975158e+00 -4.096975158e+00 3.16 -4.034460489e+00 -4.034460489e+00 3.18 -3.970508699e+00 -3.970508699e+00 3.20 -3.905234912e+00 -3.905234912e+00 3.22 -3.838703333e+00 -3.838703333e+00 3.24 -3.770939688e+00 -3.770939688e+00 3.26 -3.701945151e+00 -3.701945151e+00 3.28 -3.631710277e+00 -3.631710277e+00 3.30 -3.560228053e+00 -3.560228053e+00 3.32 -3.487505663e+00 -3.487505663e+00 3.34 -3.413574739e+00 -3.413574739e+00 3.36 -3.338499898e+00 -3.338499898e+00 3.38 -3.262385283e+00 -3.262385283e+00 3.40 -3.185378691e+00 -3.185378691e+00 3.42 -3.107672984e+00 -3.107672984e+00 3.44 -3.029504171e+00 -3.029504171e+00 3.46 -2.951146380e+00 -2.951146380e+00 3.48 -2.872903580e+00 -2.872903580e+00 3.50 -2.795098627e+00 -2.795098627e+00 3.52 -2.718060348e+00 -2.718060348e+00 3.54 -2.642109673e+00 -2.642109673e+00 3.56 -2.567545946e+00 -2.567545946e+00 3.58 -2.494634640e+00 -2.494634640e+00 3.60 -2.423597591e+00 -2.423597591e+00 3.62 -2.354606620e+00 -2.354606620e+00 3.64 -2.287781007e+00 -2.287781007e+00 3.66 -2.223188685e+00 -2.223188685e+00 3.68 -2.160850584e+00 -2.160850584e+00 3.70 -2.100747152e+00 -2.100747152e+00 3.72 -2.042826012e+00 -2.042826012e+00 3.74 -1.987009792e+00 -1.987009792e+00 3.76 -1.933203419e+00 -1.933203419e+00 3.78 -1.881300459e+00 -1.881300459e+00 3.80 -1.831188306e+00 -1.831188306e+00 3.82 -1.782752246e+00 -1.782752246e+00 3.84 -1.735878483e+00 -1.735878483e+00 3.86 -1.690456302e+00 -1.690456302e+00 3.88 -1.646379530e+00 -1.646379530e+00 3.90 -1.603547449e+00 -1.603547449e+00 3.92 -1.561865259e+00 -1.561865259e+00 3.94 -1.521244403e+00 -1.521244403e+00 3.96 -1.481602308e+00 -1.481602308e+00 3.98 -1.442862357e+00 -1.442862357e+00 4.00 -1.404953583e+00 -1.404953583e+00 4.02 -1.367810405e+00 -1.367810405e+00 4.04 -1.331372415e+00 -1.331372415e+00 4.06 -1.295584299e+00 -1.295584299e+00 4.08 -1.260395939e+00 -1.260395939e+00 4.10 -1.225762668e+00 -1.225762668e+00 4.12 -1.191646223e+00 -1.191646223e+00 4.14 -1.158015027e+00 -1.158015027e+00 4.16 -1.124845628e+00 -1.124845628e+00 4.18 -1.092123735e+00 -1.092123735e+00 4.20 -1.059845316e+00 -1.059845316e+00 4.22 -1.028017432e+00 -1.028017432e+00 4.24 -9.966586215e-01 -9.966586215e-01 4.26 -9.657985806e-01 -9.657985806e-01 4.28 -9.354770049e-01 -9.354770049e-01 4.30 -9.057414994e-01 -9.057414994e-01 4.32 -8.766446221e-01 -8.766446221e-01 4.34 -8.482402644e-01 -8.482402644e-01 4.36 -8.205796977e-01 -8.205796977e-01 4.38 -7.937076963e-01 -7.937076963e-01 4.40 -7.676591492e-01 -7.676591492e-01 4.42 -7.424565033e-01 -7.424565033e-01 4.44 -7.181082472e-01 -7.181082472e-01 4.46 -6.946084892e-01 -6.946084892e-01 4.48 -6.719375306e-01 -6.719375306e-01 4.50 -6.500632314e-01 -6.500632314e-01 4.52 -6.289429032e-01 -6.289429032e-01 4.54 -6.085254675e-01 -6.085254675e-01 4.56 -5.887536508e-01 -5.887536508e-01 4.58 -5.695660512e-01 -5.695660512e-01 4.60 -5.508989790e-01 -5.508989790e-01 4.62 -5.326880333e-01 -5.326880333e-01 4.64 -5.148694287e-01 -5.148694287e-01 4.66 -4.973811159e-01 -4.973811159e-01 4.68 -4.801637599e-01 -4.801637599e-01 4.70 -4.631616461e-01 -4.631616461e-01 4.72 -4.463235755e-01 -4.463235755e-01 4.74 -4.296038032e-01 -4.296038032e-01 4.76 -4.129630505e-01 -4.129630505e-01 4.78 -3.963695983e-01 -3.963695983e-01 4.80 -3.798003912e-01 -3.798003912e-01 4.82 -3.632424121e-01 -3.632424121e-01 4.84 -3.466934385e-01 -3.466934385e-01 4.86 -3.301631736e-01 -3.301631736e-01 4.88 -3.136737645e-01 -3.136737645e-01 4.90 -2.972599209e-01 -2.972599209e-01 4.92 -2.809684442e-01 -2.809684442e-01 4.94 -2.648570742e-01 -2.648570742e-01 4.96 -2.489926149e-01 -2.489926149e-01 4.98 -2.334483778e-01 -2.334483778e-01 5.00 -2.183010648e-01 -2.183010648e-01 5.02 -2.036272924e-01 -2.036272924e-01 5.04 -1.895000198e-01 -1.895000198e-01 5.06 -1.759851695e-01 -1.759851695e-01 5.08 -1.631387188e-01 -1.631387188e-01 5.10 -1.510044872e-01 -1.510044872e-01 5.12 -1.396127640e-01 -1.396127640e-01 5.14 -1.289798217e-01 -1.289798217e-01 5.16 -1.191082656e-01 -1.191082656e-01 5.18 -1.099880942e-01 -1.099880942e-01 5.20 -1.015982885e-01 -1.015982885e-01 5.22 -9.390873521e-02 -9.390873521e-02 5.24 -8.688228856e-02 -8.688228856e-02 5.26 -8.047680866e-02 -8.047680866e-02 5.28 -7.464705033e-02 -7.464705033e-02 5.30 -6.934631777e-02 -6.934631777e-02 5.32 -6.452784419e-02 -6.452784419e-02 5.34 -6.014588646e-02 -6.014588646e-02 5.36 -5.615654214e-02 -5.615654214e-02 5.38 -5.251810485e-02 -5.251810485e-02 5.40 -4.919171332e-02 -4.919171332e-02 5.42 -4.614189332e-02 -4.614189332e-02 5.44 -4.333616970e-02 -4.333616970e-02 5.46 -4.074497612e-02 -4.074497612e-02 5.48 -3.834161373e-02 -3.834161373e-02 5.50 -3.610215169e-02 -3.610215169e-02 5.52 -3.400529597e-02 -3.400529597e-02 5.54 -3.203224599e-02 -3.203224599e-02 5.56 -3.016654949e-02 -3.016654949e-02 5.58 -2.839396871e-02 -2.839396871e-02 5.60 -2.670235905e-02 -2.670235905e-02 5.62 -2.508155981e-02 -2.508155981e-02 5.64 -2.352329458e-02 -2.352329458e-02 5.66 -2.202107580e-02 -2.202107580e-02 5.68 -2.057010579e-02 -2.057010579e-02 5.70 -1.916716622e-02 -1.916716622e-02 5.72 -1.781048751e-02 -1.781048751e-02 5.74 -1.649959164e-02 -1.649959164e-02 5.76 -1.523510120e-02 -1.523510120e-02 5.78 -1.401835721e-02 -1.401835721e-02 5.80 -1.285147701e-02 -1.285147701e-02 5.82 -1.173707240e-02 -1.173707240e-02 5.84 -1.067785711e-02 -1.067785711e-02 5.86 -9.676391142e-03 -9.676391142e-03 5.88 -8.734853638e-03 -8.734853638e-03 5.90 -7.854858229e-03 -7.854858229e-03 5.92 -7.037321173e-03 -7.037321173e-03 5.94 -6.282387072e-03 -6.282387072e-03 5.96 -5.589411478e-03 -5.589411478e-03 5.98 -4.956994513e-03 -4.956994513e-03 6.00 -4.383055869e-03 -4.383055869e-03