# 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 = Ni2PdW # 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 2.355731527e+02 2.355731527e+02 1.30 2.169638002e+02 2.169638002e+02 1.32 1.997848995e+02 1.997848995e+02 1.34 1.839305255e+02 1.839305255e+02 1.36 1.693032179e+02 1.693032179e+02 1.38 1.558094497e+02 1.558094497e+02 1.40 1.433578565e+02 1.433578565e+02 1.42 1.318606527e+02 1.318606527e+02 1.44 1.212363472e+02 1.212363472e+02 1.46 1.114115134e+02 1.114115134e+02 1.48 1.023208413e+02 1.023208413e+02 1.50 9.390608524e+01 9.390608524e+01 1.52 8.611477596e+01 8.611477596e+01 1.54 7.889913328e+01 7.889913328e+01 1.56 7.221523051e+01 7.221523051e+01 1.58 6.602240432e+01 6.602240432e+01 1.60 6.028301260e+01 6.028301260e+01 1.62 5.496256612e+01 5.496256612e+01 1.64 5.002996469e+01 5.002996469e+01 1.66 4.545745351e+01 4.545745351e+01 1.68 4.122017530e+01 4.122017530e+01 1.70 3.729578492e+01 3.729578492e+01 1.72 3.366366230e+01 3.366366230e+01 1.74 3.030364555e+01 3.030364555e+01 1.76 2.720452039e+01 2.720452039e+01 1.78 2.435856572e+01 2.435856572e+01 1.80 2.174538323e+01 2.174538323e+01 1.82 1.934556926e+01 1.934556926e+01 1.84 1.714104588e+01 1.714104588e+01 1.86 1.511524296e+01 1.511524296e+01 1.88 1.325322212e+01 1.325322212e+01 1.90 1.154169431e+01 1.154169431e+01 1.92 9.968915895e+00 9.968915895e+00 1.94 8.524491867e+00 8.524491867e+00 1.96 7.199137264e+00 7.199137264e+00 1.98 5.984440870e+00 5.984440870e+00 2.00 4.872654939e+00 4.872654939e+00 2.02 3.856520073e+00 3.856520073e+00 2.04 2.929130518e+00 2.929130518e+00 2.06 2.083845659e+00 2.083845659e+00 2.08 1.314251707e+00 1.314251707e+00 2.10 6.141724450e-01 6.141724450e-01 2.12 -2.227934415e-02 -2.227934415e-02 2.14 -6.006266334e-01 -6.006266334e-01 2.16 -1.125952495e+00 -1.125952495e+00 2.18 -1.602847609e+00 -1.602847609e+00 2.20 -2.035396159e+00 -2.035396159e+00 2.22 -2.427201838e+00 -2.427201838e+00 2.24 -2.781433186e+00 -2.781433186e+00 2.26 -3.100799706e+00 -3.100799706e+00 2.28 -3.387972156e+00 -3.387972156e+00 2.30 -3.645451963e+00 -3.645451963e+00 2.32 -3.875564621e+00 -3.875564621e+00 2.34 -4.080516203e+00 -4.080516203e+00 2.36 -4.262413882e+00 -4.262413882e+00 2.38 -4.423165450e+00 -4.423165450e+00 2.40 -4.564206708e+00 -4.564206708e+00 2.42 -4.686856630e+00 -4.686856630e+00 2.44 -4.792396888e+00 -4.792396888e+00 2.46 -4.882044086e+00 -4.882044086e+00 2.48 -4.956941630e+00 -4.956941630e+00 2.50 -5.018158849e+00 -5.018158849e+00 2.52 -5.066688941e+00 -5.066688941e+00 2.54 -5.103444109e+00 -5.103444109e+00 2.56 -5.129251309e+00 -5.129251309e+00 2.58 -5.144853059e+00 -5.144853059e+00 2.60 -5.150915436e+00 -5.150915436e+00 2.62 -5.148043116e+00 -5.148043116e+00 2.64 -5.136794325e+00 -5.136794325e+00 2.66 -5.117699372e+00 -5.117699372e+00 2.68 -5.091579240e+00 -5.091579240e+00 2.70 -5.059065353e+00 -5.059065353e+00 2.72 -5.020456024e+00 -5.020456024e+00 2.74 -4.976085929e+00 -4.976085929e+00 2.76 -4.926309405e+00 -4.926309405e+00 2.78 -4.871444636e+00 -4.871444636e+00 2.80 -4.811588736e+00 -4.811588736e+00 2.82 -4.746841835e+00 -4.746841835e+00 2.84 -4.677422895e+00 -4.677422895e+00 2.86 -4.603589964e+00 -4.603589964e+00 2.88 -4.525636482e+00 -4.525636482e+00 2.90 -4.443897440e+00 -4.443897440e+00 2.92 -4.358752879e+00 -4.358752879e+00 2.94 -4.270625876e+00 -4.270625876e+00 2.96 -4.179973959e+00 -4.179973959e+00 2.98 -4.087274690e+00 -4.087274690e+00 3.00 -3.993007508e+00 -3.993007508e+00 3.02 -3.897634497e+00 -3.897634497e+00 3.04 -3.801582544e+00 -3.801582544e+00 3.06 -3.705228745e+00 -3.705228745e+00 3.08 -3.608890168e+00 -3.608890168e+00 3.10 -3.512818442e+00 -3.512818442e+00 3.12 -3.417199098e+00 -3.417199098e+00 3.14 -3.322155166e+00 -3.322155166e+00 3.16 -3.227754202e+00 -3.227754202e+00 3.18 -3.134017786e+00 -3.134017786e+00 3.20 -3.040932506e+00 -3.040932506e+00 3.22 -2.948461567e+00 -2.948461567e+00 3.24 -2.856556396e+00 -2.856556396e+00 3.26 -2.765167790e+00 -2.765167790e+00 3.28 -2.674256328e+00 -2.674256328e+00 3.30 -2.583801826e+00 -2.583801826e+00 3.32 -2.493811620e+00 -2.493811620e+00 3.34 -2.404327370e+00 -2.404327370e+00 3.36 -2.315430014e+00 -2.315430014e+00 3.38 -2.227242398e+00 -2.227242398e+00 3.40 -2.139929143e+00 -2.139929143e+00 3.42 -2.053693422e+00 -2.053693422e+00 3.44 -1.968770508e+00 -1.968770508e+00 3.46 -1.885418337e+00 -1.885418337e+00 3.48 -1.803905649e+00 -1.803905649e+00 3.50 -1.724498659e+00 -1.724498659e+00 3.52 -1.647447427e+00 -1.647447427e+00 3.54 -1.572973181e+00 -1.572973181e+00 3.56 -1.501257759e+00 -1.501257759e+00 3.58 -1.432436022e+00 -1.432436022e+00 3.60 -1.366591737e+00 -1.366591737e+00 3.62 -1.303756995e+00 -1.303756995e+00 3.64 -1.243914869e+00 -1.243914869e+00 3.66 -1.187004734e+00 -1.187004734e+00 3.68 -1.132929538e+00 -1.132929538e+00 3.70 -1.081564246e+00 -1.081564246e+00 3.72 -1.032764770e+00 -1.032764770e+00 3.74 -9.863767284e-01 -9.863767284e-01 3.76 -9.422435532e-01 -9.422435532e-01 3.78 -9.002134806e-01 -9.002134806e-01 3.80 -8.601451025e-01 -8.601451025e-01 3.82 -8.219111963e-01 -8.219111963e-01 3.84 -7.854006680e-01 -7.854006680e-01 3.86 -7.505185883e-01 -7.505185883e-01 3.88 -7.171844936e-01 -7.171844936e-01 3.90 -6.853293506e-01 -6.853293506e-01 3.92 -6.548917676e-01 -6.548917676e-01 3.94 -6.258141428e-01 -6.258141428e-01 3.96 -5.980393995e-01 -5.980393995e-01 3.98 -5.715087894e-01 -5.715087894e-01 4.00 -5.461609667e-01 -5.461609667e-01 4.02 -5.219322541e-01 -5.219322541e-01 4.04 -4.987577816e-01 -4.987577816e-01 4.06 -4.765730579e-01 -4.765730579e-01 4.08 -4.553155218e-01 -4.553155218e-01 4.10 -4.349257150e-01 -4.349257150e-01 4.12 -4.153478678e-01 -4.153478678e-01 4.14 -3.965298506e-01 -3.965298506e-01 4.16 -3.784226117e-01 -3.784226117e-01 4.18 -3.609793120e-01 -3.609793120e-01 4.20 -3.441544283e-01 -3.441544283e-01 4.22 -3.279030844e-01 -3.279030844e-01 4.24 -3.121808065e-01 -3.121808065e-01 4.26 -2.969438143e-01 -2.969438143e-01 4.28 -2.821498546e-01 -2.821498546e-01 4.30 -2.677594951e-01 -2.677594951e-01 4.32 -2.537377271e-01 -2.537377271e-01 4.34 -2.400556786e-01 -2.400556786e-01 4.36 -2.266922170e-01 -2.266922170e-01 4.38 -2.136352211e-01 -2.136352211e-01 4.40 -2.008823163e-01 -2.008823163e-01 4.42 -1.884409113e-01 -1.884409113e-01 4.44 -1.763274375e-01 -1.763274375e-01 4.46 -1.645657830e-01 -1.645657830e-01 4.48 -1.531850218e-01 -1.531850218e-01 4.50 -1.422166490e-01 -1.422166490e-01 4.52 -1.316916181e-01 -1.316916181e-01 4.54 -1.216375269e-01 -1.216375269e-01 4.56 -1.120762788e-01 -1.120762788e-01 4.58 -1.030224777e-01 -1.030224777e-01 4.60 -9.448268679e-02 -9.448268679e-02 4.62 -8.645555913e-02 -8.645555913e-02 4.64 -7.893271691e-02 -7.893271691e-02 4.66 -7.190015952e-02 -7.190015952e-02 4.68 -6.533992859e-02 -6.533992859e-02 4.70 -5.923178734e-02 -5.923178734e-02 4.72 -5.355470810e-02 -5.355470810e-02 4.74 -4.828771512e-02 -4.828771512e-02 4.76 -4.341129400e-02 -4.341129400e-02 4.78 -3.890758638e-02 -3.890758638e-02 4.80 -3.475997359e-02 -3.475997359e-02 4.82 -3.095285801e-02 -3.095285801e-02 4.84 -2.747126602e-02 -2.747126602e-02 4.86 -2.430039879e-02 -2.430039879e-02 4.88 -2.142522406e-02 -2.142522406e-02 4.90 -1.883017739e-02 -1.883017739e-02 4.92 -1.649900730e-02 -1.649900730e-02 4.94 -1.441448243e-02 -1.441448243e-02 4.96 -1.255907471e-02 -1.255907471e-02 4.98 -1.091515737e-02 -1.091515737e-02 5.00 -9.464927764e-03 -9.464927764e-03 5.02 -8.190729619e-03 -8.190729619e-03 5.04 -7.075355715e-03 -7.075355715e-03 5.06 -6.102308344e-03 -6.102308344e-03 5.08 -5.256005045e-03 -5.256005045e-03 5.10 -4.521925482e-03 -4.521925482e-03 5.12 -3.886701667e-03 -3.886701667e-03 5.14 -3.338157879e-03 -3.338157879e-03 5.16 -2.865308813e-03 -2.865308813e-03 5.18 -2.458325192e-03 -2.458325192e-03 5.20 -2.108475703e-03 -2.108475703e-03 5.22 -1.808053152e-03 -1.808053152e-03 5.24 -1.550291446e-03 -1.550291446e-03 5.26 -1.329278632e-03 -1.329278632e-03 5.28 -1.139869961e-03 -1.139869961e-03 5.30 -9.776038168e-04 -9.776038168e-04 5.32 -8.386223906e-04 -8.386223906e-04 5.34 -7.195982703e-04 -7.195982703e-04 5.36 -6.176675166e-04 -6.176675166e-04 5.38 -5.303693976e-04 -5.303693976e-04 5.40 -4.555926558e-04 -4.555926558e-04 5.42 -3.915279894e-04 -3.915279894e-04 5.44 -3.366263142e-04 -3.366263142e-04 5.46 -2.895623055e-04 -2.895623055e-04 5.48 -2.492027024e-04 -2.492027024e-04 5.50 -2.145788583e-04 -2.145788583e-04 5.52 -1.848630464e-04 -1.848630464e-04 5.54 -1.593480602e-04 -1.593480602e-04 5.56 -1.374296909e-04 -1.374296909e-04 5.58 -1.185917028e-04 -1.185917028e-04 5.60 -1.023929701e-04 -1.023929701e-04 5.62 -8.845647744e-05 -8.845647744e-05 5.64 -7.645992258e-05 -7.645992258e-05 5.66 -6.612769500e-05 -6.612769500e-05 5.68 -5.722403155e-05 -5.722403155e-05 5.70 -4.954717961e-05 -4.954717961e-05 5.72 -4.292442044e-05 -4.292442044e-05 5.74 -3.720782681e-05 -3.720782681e-05 5.76 -3.227064651e-05 -3.227064651e-05 5.78 -2.800421954e-05 -2.800421954e-05 5.80 -2.431534974e-05 -2.431534974e-05 5.82 -2.112406359e-05 -2.112406359e-05 5.84 -1.836169870e-05 -1.836169870e-05 5.86 -1.596927288e-05 -1.596927288e-05 5.88 -1.389609237e-05 -1.389609237e-05 5.90 -1.209856358e-05 -1.209856358e-05 5.92 -1.053917817e-05 -1.053917817e-05 5.94 -9.185645949e-06 -9.185645949e-06 5.96 -8.010153631e-06 -8.010153631e-06 5.98 -6.988730884e-06 -6.988730884e-06 6.00 -6.100707953e-06 -6.100707953e-06