# 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 = CoNiPd2 # 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 2.135231180e+02 2.135231180e+02 1.30 1.970421170e+02 1.970421170e+02 1.32 1.818026444e+02 1.818026444e+02 1.34 1.677068048e+02 1.677068048e+02 1.36 1.546648750e+02 1.546648750e+02 1.38 1.425930205e+02 1.425930205e+02 1.40 1.314128016e+02 1.314128016e+02 1.42 1.210517254e+02 1.210517254e+02 1.44 1.114440646e+02 1.114440646e+02 1.46 1.025313645e+02 1.025313645e+02 1.48 9.426191713e+01 9.426191713e+01 1.50 8.658914498e+01 8.658914498e+01 1.52 7.946976814e+01 7.946976814e+01 1.54 7.286260743e+01 7.286260743e+01 1.56 6.672820058e+01 6.672820058e+01 1.58 6.102898608e+01 6.102898608e+01 1.60 5.572979719e+01 5.572979719e+01 1.62 5.079849154e+01 5.079849154e+01 1.64 4.620769526e+01 4.620769526e+01 1.66 4.196073310e+01 4.196073310e+01 1.68 3.804402772e+01 3.804402772e+01 1.70 3.443342790e+01 3.443342790e+01 1.72 3.110640722e+01 3.110640722e+01 1.74 2.804167314e+01 2.804167314e+01 1.76 2.521919032e+01 2.521919032e+01 1.78 2.262040422e+01 2.262040422e+01 1.80 2.022839947e+01 2.022839947e+01 1.82 1.802783927e+01 1.802783927e+01 1.84 1.600470965e+01 1.600470965e+01 1.86 1.414599307e+01 1.414599307e+01 1.88 1.243939366e+01 1.243939366e+01 1.90 1.087319753e+01 1.087319753e+01 1.92 9.436296158e+00 9.436296158e+00 1.94 8.118323461e+00 8.118323461e+00 1.96 6.909796163e+00 6.909796163e+00 1.98 5.802158185e+00 5.802158185e+00 2.00 4.787705561e+00 4.787705561e+00 2.02 3.859443519e+00 3.859443519e+00 2.04 3.010945364e+00 3.010945364e+00 2.06 2.236251787e+00 2.236251787e+00 2.08 1.529813305e+00 1.529813305e+00 2.10 8.864624428e-01 8.864624428e-01 2.12 3.014013109e-01 3.014013109e-01 2.14 -2.298063513e-01 -2.298063513e-01 2.16 -7.112456434e-01 -7.112456434e-01 2.18 -1.146666725e+00 -1.146666725e+00 2.20 -1.539507126e+00 -1.539507126e+00 2.22 -1.892918573e+00 -1.892918573e+00 2.24 -2.209795691e+00 -2.209795691e+00 2.26 -2.492804634e+00 -2.492804634e+00 2.28 -2.744412185e+00 -2.744412185e+00 2.30 -2.966917558e+00 -2.966917558e+00 2.32 -3.162486942e+00 -3.162486942e+00 2.34 -3.333185649e+00 -3.333185649e+00 2.36 -3.480999652e+00 -3.480999652e+00 2.38 -3.607841468e+00 -3.607841468e+00 2.40 -3.715543113e+00 -3.715543113e+00 2.42 -3.805845081e+00 -3.805845081e+00 2.44 -3.880393938e+00 -3.880393938e+00 2.46 -3.940782364e+00 -3.940782364e+00 2.48 -3.988423101e+00 -3.988423101e+00 2.50 -4.024616304e+00 -4.024616304e+00 2.52 -4.050568777e+00 -4.050568777e+00 2.54 -4.067622336e+00 -4.067622336e+00 2.56 -4.077338178e+00 -4.077338178e+00 2.58 -4.080194014e+00 -4.080194014e+00 2.60 -4.076515147e+00 -4.076515147e+00 2.62 -4.066436131e+00 -4.066436131e+00 2.64 -4.050088267e+00 -4.050088267e+00 2.66 -4.027647005e+00 -4.027647005e+00 2.68 -3.999323068e+00 -3.999323068e+00 2.70 -3.965390834e+00 -3.965390834e+00 2.72 -3.926234297e+00 -3.926234297e+00 2.74 -3.882254796e+00 -3.882254796e+00 2.76 -3.833855408e+00 -3.833855408e+00 2.78 -3.781438746e+00 -3.781438746e+00 2.80 -3.725402755e+00 -3.725402755e+00 2.82 -3.666137590e+00 -3.666137590e+00 2.84 -3.604025832e+00 -3.604025832e+00 2.86 -3.539446149e+00 -3.539446149e+00 2.88 -3.472778371e+00 -3.472778371e+00 2.90 -3.404406720e+00 -3.404406720e+00 2.92 -3.334718369e+00 -3.334718369e+00 2.94 -3.264096256e+00 -3.264096256e+00 2.96 -3.192907441e+00 -3.192907441e+00 2.98 -3.121490096e+00 -3.121490096e+00 3.00 -3.050142606e+00 -3.050142606e+00 3.02 -2.979117169e+00 -2.979117169e+00 3.04 -2.908618355e+00 -2.908618355e+00 3.06 -2.838805568e+00 -2.838805568e+00 3.08 -2.769797796e+00 -2.769797796e+00 3.10 -2.701679429e+00 -2.701679429e+00 3.12 -2.634506508e+00 -2.634506508e+00 3.14 -2.568313126e+00 -2.568313126e+00 3.16 -2.503117666e+00 -2.503117666e+00 3.18 -2.438928459e+00 -2.438928459e+00 3.20 -2.375748464e+00 -2.375748464e+00 3.22 -2.313578751e+00 -2.313578751e+00 3.24 -2.252420814e+00 -2.252420814e+00 3.26 -2.192277878e+00 -2.192277878e+00 3.28 -2.133155473e+00 -2.133155473e+00 3.30 -2.075061466e+00 -2.075061466e+00 3.32 -2.018005737e+00 -2.018005737e+00 3.34 -1.961999607e+00 -1.961999607e+00 3.36 -1.907055074e+00 -1.907055074e+00 3.38 -1.853183949e+00 -1.853183949e+00 3.40 -1.800396932e+00 -1.800396932e+00 3.42 -1.748702711e+00 -1.748702711e+00 3.44 -1.698107152e+00 -1.698107152e+00 3.46 -1.648612642e+00 -1.648612642e+00 3.48 -1.600217621e+00 -1.600217621e+00 3.50 -1.552916344e+00 -1.552916344e+00 3.52 -1.506698839e+00 -1.506698839e+00 3.54 -1.461551056e+00 -1.461551056e+00 3.56 -1.417455160e+00 -1.417455160e+00 3.58 -1.374389915e+00 -1.374389915e+00 3.60 -1.332331133e+00 -1.332331133e+00 3.62 -1.291252157e+00 -1.291252157e+00 3.64 -1.251124380e+00 -1.251124380e+00 3.66 -1.211917809e+00 -1.211917809e+00 3.68 -1.173601711e+00 -1.173601711e+00 3.70 -1.136145348e+00 -1.136145348e+00 3.72 -1.099518833e+00 -1.099518833e+00 3.74 -1.063694060e+00 -1.063694060e+00 3.76 -1.028645675e+00 -1.028645675e+00 3.78 -9.943519788e-01 -9.943519788e-01 3.80 -9.607956430e-01 -9.607956430e-01 3.82 -9.279641087e-01 -9.279641087e-01 3.84 -8.958495449e-01 -8.958495449e-01 3.86 -8.644483113e-01 -8.644483113e-01 3.88 -8.337599496e-01 -8.337599496e-01 3.90 -8.037858319e-01 -8.037858319e-01 3.92 -7.745276857e-01 -7.745276857e-01 3.94 -7.459862658e-01 -7.459862658e-01 3.96 -7.181604219e-01 -7.181604219e-01 3.98 -6.910467374e-01 -6.910467374e-01 4.00 -6.646397746e-01 -6.646397746e-01 4.02 -6.389328276e-01 -6.389328276e-01 4.04 -6.139189677e-01 -6.139189677e-01 4.06 -5.895921060e-01 -5.895921060e-01 4.08 -5.659478029e-01 -5.659478029e-01 4.10 -5.429836193e-01 -5.429836193e-01 4.12 -5.206989142e-01 -5.206989142e-01 4.14 -4.990941035e-01 -4.990941035e-01 4.16 -4.781695331e-01 -4.781695331e-01 4.18 -4.579241725e-01 -4.579241725e-01 4.20 -4.383543757e-01 -4.383543757e-01 4.22 -4.194529206e-01 -4.194529206e-01 4.24 -4.012084633e-01 -4.012084633e-01 4.26 -3.836054509e-01 -3.836054509e-01 4.28 -3.666244485e-01 -3.666244485e-01 4.30 -3.502427836e-01 -3.502427836e-01 4.32 -3.344353886e-01 -3.344353886e-01 4.34 -3.191757367e-01 -3.191757367e-01 4.36 -3.044367862e-01 -3.044367862e-01 4.38 -2.901918693e-01 -2.901918693e-01 4.40 -2.764154673e-01 -2.764154673e-01 4.42 -2.630838192e-01 -2.630838192e-01 4.44 -2.501753077e-01 -2.501753077e-01 4.46 -2.376705918e-01 -2.376705918e-01 4.48 -2.255524827e-01 -2.255524827e-01 4.50 -2.138056114e-01 -2.138056114e-01 4.52 -2.024159780e-01 -2.024159780e-01 4.54 -1.913705044e-01 -1.913705044e-01 4.56 -1.806567152e-01 -1.806567152e-01 4.58 -1.702626452e-01 -1.702626452e-01 4.60 -1.601770230e-01 -1.601770230e-01 4.62 -1.503897188e-01 -1.503897188e-01 4.64 -1.408923857e-01 -1.408923857e-01 4.66 -1.316791784e-01 -1.316791784e-01 4.68 -1.227474129e-01 -1.227474129e-01 4.70 -1.140980344e-01 -1.140980344e-01 4.72 -1.057357862e-01 -1.057357862e-01 4.74 -9.766901417e-02 -9.766901417e-02 4.76 -8.990911131e-02 -8.990911131e-02 4.78 -8.246963953e-02 -8.246963953e-02 4.80 -7.536522600e-02 -7.536522600e-02 4.82 -6.861035987e-02 -6.861035987e-02 4.84 -6.221822230e-02 -6.221822230e-02 4.86 -5.619966468e-02 -5.619966468e-02 4.88 -5.056241872e-02 -5.056241872e-02 4.90 -4.531058668e-02 -4.531058668e-02 4.92 -4.044440685e-02 -4.044440685e-02 4.94 -3.596025941e-02 -3.596025941e-02 4.96 -3.185085009e-02 -3.185085009e-02 4.98 -2.810540410e-02 -2.810540410e-02 5.00 -2.471032476e-02 -2.471032476e-02 5.02 -2.164955411e-02 -2.164955411e-02 5.04 -1.890469543e-02 -1.890469543e-02 5.06 -1.645587121e-02 -1.645587121e-02 5.08 -1.428242056e-02 -1.428242056e-02 5.10 -1.236285891e-02 -1.236285891e-02 5.12 -1.067538668e-02 -1.067538668e-02 5.14 -9.198353190e-03 -9.198353190e-03 5.16 -7.910661401e-03 -7.910661401e-03 5.18 -6.792103783e-03 -6.792103783e-03 5.20 -5.823623448e-03 -5.823623448e-03 5.22 -4.987499524e-03 -4.987499524e-03 5.24 -4.267460664e-03 -4.267460664e-03 5.26 -3.648734582e-03 -3.648734582e-03 5.28 -3.118044035e-03 -3.118044035e-03 5.30 -2.663560775e-03 -2.663560775e-03 5.32 -2.274828824e-03 -2.274828824e-03 5.34 -1.942667353e-03 -1.942667353e-03 5.36 -1.659061943e-03 -1.659061943e-03 5.38 -1.417051188e-03 -1.417051188e-03 5.40 -1.210613934e-03 -1.210613934e-03 5.42 -1.034560910e-03 -1.034560910e-03 5.44 -8.844331815e-04 -8.844331815e-04 5.46 -7.564088878e-04 -7.564088878e-04 5.48 -6.472188923e-04 -6.472188923e-04 5.50 -5.540714595e-04 -5.540714595e-04 5.52 -4.745856652e-04 -4.745856652e-04 5.54 -4.067330144e-04 -4.067330144e-04 5.56 -3.487865990e-04 -3.487865990e-04 5.58 -2.992770664e-04 -2.992770664e-04 5.60 -2.569546602e-04 -2.569546602e-04 5.62 -2.207566156e-04 -2.207566156e-04 5.64 -1.897792396e-04 -1.897792396e-04 5.66 -1.632540608e-04 -1.632540608e-04 5.68 -1.405274961e-04 -1.405274961e-04 5.70 -1.210435419e-04 -1.210435419e-04 5.72 -1.043290587e-04 -1.043290587e-04 5.74 -8.998127179e-05 -8.998127179e-05 5.76 -7.765716138e-05 -7.765716138e-05 5.78 -6.706446090e-05 -6.706446090e-05 5.80 -5.795402228e-05 -5.795402228e-05 5.82 -5.011334123e-05 -5.011334123e-05 5.84 -4.336106655e-05 -4.336106655e-05 5.86 -3.754234342e-05 -3.754234342e-05 5.88 -3.252486334e-05 -3.252486334e-05 5.90 -2.819551259e-05 -2.819551259e-05 5.92 -2.445752761e-05 -2.445752761e-05 5.94 -2.122807966e-05 -2.122807966e-05 5.96 -1.843622313e-05 -1.843622313e-05 5.98 -1.602115198e-05 -1.602115198e-05 6.00 -1.393071720e-05 -1.393071720e-05