# 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 = NiPd2Zr # 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 3.000477587e+02 3.000477587e+02 1.30 2.785485006e+02 2.785485006e+02 1.32 2.586100546e+02 2.586100546e+02 1.34 2.401104441e+02 2.401104441e+02 1.36 2.229378332e+02 2.229378332e+02 1.38 2.069891154e+02 2.069891154e+02 1.40 1.921691150e+02 1.921691150e+02 1.42 1.783903278e+02 1.783903278e+02 1.44 1.655730736e+02 1.655730736e+02 1.46 1.536452921e+02 1.536452921e+02 1.48 1.425416413e+02 1.425416413e+02 1.50 1.322024453e+02 1.322024453e+02 1.52 1.225728362e+02 1.225728362e+02 1.54 1.136018029e+02 1.136018029e+02 1.56 1.052413538e+02 1.052413538e+02 1.58 9.744592279e+01 9.744592279e+01 1.60 9.017239888e+01 9.017239888e+01 1.62 8.338066227e+01 8.338066227e+01 1.64 7.703432162e+01 7.703432162e+01 1.66 7.110099000e+01 7.110099000e+01 1.68 6.555197476e+01 6.555197476e+01 1.70 6.036153659e+01 6.036153659e+01 1.72 5.550601716e+01 5.550601716e+01 1.74 5.096318863e+01 5.096318863e+01 1.76 4.671210627e+01 4.671210627e+01 1.78 4.273364790e+01 4.273364790e+01 1.80 3.900979531e+01 3.900979531e+01 1.82 3.552940235e+01 3.552940235e+01 1.84 3.230065029e+01 3.230065029e+01 1.86 2.930920064e+01 2.930920064e+01 1.88 2.653858154e+01 2.653858154e+01 1.90 2.397310391e+01 2.397310391e+01 1.92 2.159782180e+01 2.159782180e+01 1.94 1.939863503e+01 1.939863503e+01 1.96 1.736250808e+01 1.736250808e+01 1.98 1.547757136e+01 1.547757136e+01 2.00 1.373308011e+01 1.373308011e+01 2.02 1.211925925e+01 1.211925925e+01 2.04 1.062712242e+01 1.062712242e+01 2.06 9.248324534e+00 9.248324534e+00 2.08 7.975059885e+00 7.975059885e+00 2.10 6.800017944e+00 6.800017944e+00 2.12 5.716339785e+00 5.716339785e+00 2.14 4.717598882e+00 4.717598882e+00 2.16 3.797783237e+00 3.797783237e+00 2.18 2.951278476e+00 2.951278476e+00 2.20 2.172862211e+00 2.172862211e+00 2.22 1.457684583e+00 1.457684583e+00 2.24 8.012546051e-01 8.012546051e-01 2.26 1.994311915e-01 1.994311915e-01 2.28 -3.515943781e-01 -3.515943781e-01 2.30 -8.552991652e-01 -8.552991652e-01 2.32 -1.314873278e+00 -1.314873278e+00 2.34 -1.733264116e+00 -1.733264116e+00 2.36 -2.113233282e+00 -2.113233282e+00 2.38 -2.457405101e+00 -2.457405101e+00 2.40 -2.768300508e+00 -2.768300508e+00 2.42 -3.048360026e+00 -3.048360026e+00 2.44 -3.299947043e+00 -3.299947043e+00 2.46 -3.525348834e+00 -3.525348834e+00 2.48 -3.726761659e+00 -3.726761659e+00 2.50 -3.906326177e+00 -3.906326177e+00 2.52 -4.065962452e+00 -4.065962452e+00 2.54 -4.207345880e+00 -4.207345880e+00 2.56 -4.331979248e+00 -4.331979248e+00 2.58 -4.441184646e+00 -4.441184646e+00 2.60 -4.536114050e+00 -4.536114050e+00 2.62 -4.617773625e+00 -4.617773625e+00 2.64 -4.687053808e+00 -4.687053808e+00 2.66 -4.744643365e+00 -4.744643365e+00 2.68 -4.791135554e+00 -4.791135554e+00 2.70 -4.827139093e+00 -4.827139093e+00 2.72 -4.853278918e+00 -4.853278918e+00 2.74 -4.870193291e+00 -4.870193291e+00 2.76 -4.878524333e+00 -4.878524333e+00 2.78 -4.878903284e+00 -4.878903284e+00 2.80 -4.871946335e+00 -4.871946335e+00 2.82 -4.858234389e+00 -4.858234389e+00 2.84 -4.838320372e+00 -4.838320372e+00 2.86 -4.812887160e+00 -4.812887160e+00 2.88 -4.782827290e+00 -4.782827290e+00 2.90 -4.748298714e+00 -4.748298714e+00 2.92 -4.709455446e+00 -4.709455446e+00 2.94 -4.666500770e+00 -4.666500770e+00 2.96 -4.619671271e+00 -4.619671271e+00 2.98 -4.569219933e+00 -4.569219933e+00 3.00 -4.515400859e+00 -4.515400859e+00 3.02 -4.458457928e+00 -4.458457928e+00 3.04 -4.398626911e+00 -4.398626911e+00 3.06 -4.336184503e+00 -4.336184503e+00 3.08 -4.271391300e+00 -4.271391300e+00 3.10 -4.204485234e+00 -4.204485234e+00 3.12 -4.135685441e+00 -4.135685441e+00 3.14 -4.065209669e+00 -4.065209669e+00 3.16 -3.993263420e+00 -3.993263420e+00 3.18 -3.920054603e+00 -3.920054603e+00 3.20 -3.845791896e+00 -3.845791896e+00 3.22 -3.770685261e+00 -3.770685261e+00 3.24 -3.694946149e+00 -3.694946149e+00 3.26 -3.618787484e+00 -3.618787484e+00 3.28 -3.542422969e+00 -3.542422969e+00 3.30 -3.466064854e+00 -3.466064854e+00 3.32 -3.389919590e+00 -3.389919590e+00 3.34 -3.314181556e+00 -3.314181556e+00 3.36 -3.239026003e+00 -3.239026003e+00 3.38 -3.164602929e+00 -3.164602929e+00 3.40 -3.091032324e+00 -3.091032324e+00 3.42 -3.018408080e+00 -3.018408080e+00 3.44 -2.946793198e+00 -2.946793198e+00 3.46 -2.876229027e+00 -2.876229027e+00 3.48 -2.806738777e+00 -2.806738777e+00 3.50 -2.738332128e+00 -2.738332128e+00 3.52 -2.671008990e+00 -2.671008990e+00 3.54 -2.604762241e+00 -2.604762241e+00 3.56 -2.539579509e+00 -2.539579509e+00 3.58 -2.475444232e+00 -2.475444232e+00 3.60 -2.412336228e+00 -2.412336228e+00 3.62 -2.350232029e+00 -2.350232029e+00 3.64 -2.289105200e+00 -2.289105200e+00 3.66 -2.228926829e+00 -2.228926829e+00 3.68 -2.169666365e+00 -2.169666365e+00 3.70 -2.111292919e+00 -2.111292919e+00 3.72 -2.053777106e+00 -2.053777106e+00 3.74 -1.997093399e+00 -1.997093399e+00 3.76 -1.941222866e+00 -1.941222866e+00 3.78 -1.886155993e+00 -1.886155993e+00 3.80 -1.831895202e+00 -1.831895202e+00 3.82 -1.778456525e+00 -1.778456525e+00 3.84 -1.725869954e+00 -1.725869954e+00 3.86 -1.674178076e+00 -1.674178076e+00 3.88 -1.623432912e+00 -1.623432912e+00 3.90 -1.573691270e+00 -1.573691270e+00 3.92 -1.525007918e+00 -1.525007918e+00 3.94 -1.477436058e+00 -1.477436058e+00 3.96 -1.431013904e+00 -1.431013904e+00 3.98 -1.385768634e+00 -1.385768634e+00 4.00 -1.341714141e+00 -1.341714141e+00 4.02 -1.298852304e+00 -1.298852304e+00 4.04 -1.257175495e+00 -1.257175495e+00 4.06 -1.216669618e+00 -1.216669618e+00 4.08 -1.177317012e+00 -1.177317012e+00 4.10 -1.139094830e+00 -1.139094830e+00 4.12 -1.101992485e+00 -1.101992485e+00 4.14 -1.065986497e+00 -1.065986497e+00 4.16 -1.031057951e+00 -1.031057951e+00 4.18 -9.971867076e-01 -9.971867076e-01 4.20 -9.643502138e-01 -9.643502138e-01 4.22 -9.325224685e-01 -9.325224685e-01 4.24 -9.016733862e-01 -9.016733862e-01 4.26 -8.717687004e-01 -8.717687004e-01 4.28 -8.427704243e-01 -8.427704243e-01 4.30 -8.146377903e-01 -8.146377903e-01 4.32 -7.873285235e-01 -7.873285235e-01 4.34 -7.608002743e-01 -7.608002743e-01 4.36 -7.350120366e-01 -7.350120366e-01 4.38 -7.099253966e-01 -7.099253966e-01 4.40 -6.855054953e-01 -6.855054953e-01 4.42 -6.617216249e-01 -6.617216249e-01 4.44 -6.385474283e-01 -6.385474283e-01 4.46 -6.159607165e-01 -6.159607165e-01 4.48 -5.939429686e-01 -5.939429686e-01 4.50 -5.724786206e-01 -5.724786206e-01 4.52 -5.515542834e-01 -5.515542834e-01 4.54 -5.311580365e-01 -5.311580365e-01 4.56 -5.112789319e-01 -5.112789319e-01 4.58 -4.919068020e-01 -4.919068020e-01 4.60 -4.730324057e-01 -4.730324057e-01 4.62 -4.546478802e-01 -4.546478802e-01 4.64 -4.367474054e-01 -4.367474054e-01 4.66 -4.193279428e-01 -4.193279428e-01 4.68 -4.023898884e-01 -4.023898884e-01 4.70 -3.859374885e-01 -3.859374885e-01 4.72 -3.699788942e-01 -3.699788942e-01 4.74 -3.545257857e-01 -3.545257857e-01 4.76 -3.395925561e-01 -3.395925561e-01 4.78 -3.251951150e-01 -3.251951150e-01 4.80 -3.113462794e-01 -3.113462794e-01 4.82 -2.980673139e-01 -2.980673139e-01 4.84 -2.853658550e-01 -2.853658550e-01 4.86 -2.732490011e-01 -2.732490011e-01 4.88 -2.617185774e-01 -2.617185774e-01 4.90 -2.507706133e-01 -2.507706133e-01 4.92 -2.403952544e-01 -2.403952544e-01 4.94 -2.305770757e-01 -2.305770757e-01 4.96 -2.212957156e-01 -2.212957156e-01 4.98 -2.125267343e-01 -2.125267343e-01 5.00 -2.042425918e-01 -2.042425918e-01 5.02 -1.964136486e-01 -1.964136486e-01 5.04 -1.890089548e-01 -1.890089548e-01 5.06 -1.819973542e-01 -1.819973542e-01 5.08 -1.753483253e-01 -1.753483253e-01 5.10 -1.690322142e-01 -1.690322142e-01 5.12 -1.630206858e-01 -1.630206858e-01 5.14 -1.572870388e-01 -1.572870388e-01 5.16 -1.518064055e-01 -1.518064055e-01 5.18 -1.465558624e-01 -1.465558624e-01 5.20 -1.415144772e-01 -1.415144772e-01 5.22 -1.366633114e-01 -1.366633114e-01 5.24 -1.319853988e-01 -1.319853988e-01 5.26 -1.274657110e-01 -1.274657110e-01 5.28 -1.230911206e-01 -1.230911206e-01 5.30 -1.188503642e-01 -1.188503642e-01 5.32 -1.147340057e-01 -1.147340057e-01 5.34 -1.107343963e-01 -1.107343963e-01 5.36 -1.068456215e-01 -1.068456215e-01 5.38 -1.030634275e-01 -1.030634275e-01 5.40 -9.938511473e-02 -9.938511473e-02 5.42 -9.580938993e-02 -9.580938993e-02 5.44 -9.233617116e-02 -9.233617116e-02 5.46 -8.896634446e-02 -8.896634446e-02 5.48 -8.570147848e-02 -8.570147848e-02 5.50 -8.254351012e-02 -8.254351012e-02 5.52 -7.949442101e-02 -7.949442101e-02 5.54 -7.655592666e-02 -7.655592666e-02 5.56 -7.372920170e-02 -7.372920170e-02 5.58 -7.101466116e-02 -7.101466116e-02 5.60 -6.841173346e-02 -6.841173346e-02 5.62 -6.591885832e-02 -6.591885832e-02 5.64 -6.353367786e-02 -6.353367786e-02 5.66 -6.125288418e-02 -6.125288418e-02 5.68 -5.907233349e-02 -5.907233349e-02 5.70 -5.698719709e-02 -5.698719709e-02 5.72 -5.499212637e-02 -5.499212637e-02 5.74 -5.308141704e-02 -5.308141704e-02 5.76 -5.124916124e-02 -5.124916124e-02 5.78 -4.948938018e-02 -4.948938018e-02 5.80 -4.779613351e-02 -4.779613351e-02 5.82 -4.616360483e-02 -4.616360483e-02 5.84 -4.458616484e-02 -4.458616484e-02 5.86 -4.305841516e-02 -4.305841516e-02 5.88 -4.157521659e-02 -4.157521659e-02 5.90 -4.013170589e-02 -4.013170589e-02 5.92 -3.872330510e-02 -3.872330510e-02 5.94 -3.734572688e-02 -3.734572688e-02 5.96 -3.599497937e-02 -3.599497937e-02 5.98 -3.466737300e-02 -3.466737300e-02 6.00 -3.335952999e-02 -3.335952999e-02