# 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 = AgCoNi2 # 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 1.473902443e+02 1.473902443e+02 1.30 1.353925370e+02 1.353925370e+02 1.32 1.243477370e+02 1.243477370e+02 1.34 1.141732540e+02 1.141732540e+02 1.36 1.047956691e+02 1.047956691e+02 1.38 9.615056499e+01 9.615056499e+01 1.40 8.818069531e+01 8.818069531e+01 1.42 8.083400415e+01 8.083400415e+01 1.44 7.406211938e+01 7.406211938e+01 1.46 6.781945527e+01 6.781945527e+01 1.48 6.206309391e+01 6.206309391e+01 1.50 5.675323400e+01 5.675323400e+01 1.52 5.185362375e+01 5.185362375e+01 1.54 4.733157977e+01 4.733157977e+01 1.56 4.315757120e+01 4.315757120e+01 1.58 3.930460267e+01 3.930460267e+01 1.60 3.574774320e+01 3.574774320e+01 1.62 3.246509273e+01 3.246509273e+01 1.64 2.943721594e+01 2.943721594e+01 1.66 2.664470957e+01 2.664470957e+01 1.68 2.406971761e+01 2.406971761e+01 1.70 2.169573336e+01 2.169573336e+01 1.72 1.950736508e+01 1.950736508e+01 1.74 1.749014449e+01 1.749014449e+01 1.76 1.563046443e+01 1.563046443e+01 1.78 1.391569968e+01 1.391569968e+01 1.80 1.233441895e+01 1.233441895e+01 1.82 1.087651451e+01 1.087651451e+01 1.84 9.533138166e+00 9.533138166e+00 1.86 8.296455622e+00 8.296455622e+00 1.88 7.159317399e+00 7.159317399e+00 1.90 6.114959422e+00 6.114959422e+00 1.92 5.156809424e+00 5.156809424e+00 1.94 4.278425695e+00 4.278425695e+00 1.96 3.473552679e+00 3.473552679e+00 1.98 2.736246046e+00 2.736246046e+00 2.00 2.061004714e+00 2.061004714e+00 2.02 1.442856247e+00 1.442856247e+00 2.04 8.773703938e-01 8.773703938e-01 2.06 3.606091338e-01 3.606091338e-01 2.08 -1.109560671e-01 -1.109560671e-01 2.10 -5.405279245e-01 -5.405279245e-01 2.12 -9.310500390e-01 -9.310500390e-01 2.14 -1.285253686e+00 -1.285253686e+00 2.16 -1.605689534e+00 -1.605689534e+00 2.18 -1.894750604e+00 -1.894750604e+00 2.20 -2.154691380e+00 -2.154691380e+00 2.22 -2.387645302e+00 -2.387645302e+00 2.24 -2.595640060e+00 -2.595640060e+00 2.26 -2.780609435e+00 -2.780609435e+00 2.28 -2.944402587e+00 -2.944402587e+00 2.30 -3.088792946e+00 -3.088792946e+00 2.32 -3.215485135e+00 -3.215485135e+00 2.34 -3.326112276e+00 -3.326112276e+00 2.36 -3.422215922e+00 -3.422215922e+00 2.38 -3.505221228e+00 -3.505221228e+00 2.40 -3.576427014e+00 -3.576427014e+00 2.42 -3.636851101e+00 -3.636851101e+00 2.44 -3.687346633e+00 -3.687346633e+00 2.46 -3.728650488e+00 -3.728650488e+00 2.48 -3.761419248e+00 -3.761419248e+00 2.50 -3.786262018e+00 -3.786262018e+00 2.52 -3.803763707e+00 -3.803763707e+00 2.54 -3.814434561e+00 -3.814434561e+00 2.56 -3.818460202e+00 -3.818460202e+00 2.58 -3.815988879e+00 -3.815988879e+00 2.60 -3.807258908e+00 -3.807258908e+00 2.62 -3.792577658e+00 -3.792577658e+00 2.64 -3.772299126e+00 -3.772299126e+00 2.66 -3.746804423e+00 -3.746804423e+00 2.68 -3.716511889e+00 -3.716511889e+00 2.70 -3.681918325e+00 -3.681918325e+00 2.72 -3.643347638e+00 -3.643347638e+00 2.74 -3.601131164e+00 -3.601131164e+00 2.76 -3.555628905e+00 -3.555628905e+00 2.78 -3.507212033e+00 -3.507212033e+00 2.80 -3.456241578e+00 -3.456241578e+00 2.82 -3.403048759e+00 -3.403048759e+00 2.84 -3.347923011e+00 -3.347923011e+00 2.86 -3.291114383e+00 -3.291114383e+00 2.88 -3.232832974e+00 -3.232832974e+00 2.90 -3.173254562e+00 -3.173254562e+00 2.92 -3.112532644e+00 -3.112532644e+00 2.94 -3.050810059e+00 -3.050810059e+00 2.96 -2.988228870e+00 -2.988228870e+00 2.98 -2.924937882e+00 -2.924937882e+00 3.00 -2.861097380e+00 -2.861097380e+00 3.02 -2.796880590e+00 -2.796880590e+00 3.04 -2.732471476e+00 -2.732471476e+00 3.06 -2.668059011e+00 -2.668059011e+00 3.08 -2.603828924e+00 -2.603828924e+00 3.10 -2.539954746e+00 -2.539954746e+00 3.12 -2.476590230e+00 -2.476590230e+00 3.14 -2.413864693e+00 -2.413864693e+00 3.16 -2.351881821e+00 -2.351881821e+00 3.18 -2.290721489e+00 -2.290721489e+00 3.20 -2.230443500e+00 -2.230443500e+00 3.22 -2.171092086e+00 -2.171092086e+00 3.24 -2.112700212e+00 -2.112700212e+00 3.26 -2.055293131e+00 -2.055293131e+00 3.28 -1.998890965e+00 -1.998890965e+00 3.30 -1.943510343e+00 -1.943510343e+00 3.32 -1.889165237e+00 -1.889165237e+00 3.34 -1.835867214e+00 -1.835867214e+00 3.36 -1.783625287e+00 -1.783625287e+00 3.38 -1.732445547e+00 -1.732445547e+00 3.40 -1.682330714e+00 -1.682330714e+00 3.42 -1.633279709e+00 -1.633279709e+00 3.44 -1.585287330e+00 -1.585287330e+00 3.46 -1.538344088e+00 -1.538344088e+00 3.48 -1.492436228e+00 -1.492436228e+00 3.50 -1.447545951e+00 -1.447545951e+00 3.52 -1.403651815e+00 -1.403651815e+00 3.54 -1.360729279e+00 -1.360729279e+00 3.56 -1.318751345e+00 -1.318751345e+00 3.58 -1.277689248e+00 -1.277689248e+00 3.60 -1.237513152e+00 -1.237513152e+00 3.62 -1.198192834e+00 -1.198192834e+00 3.64 -1.159698376e+00 -1.159698376e+00 3.66 -1.122000891e+00 -1.122000891e+00 3.68 -1.085073356e+00 -1.085073356e+00 3.70 -1.048891585e+00 -1.048891585e+00 3.72 -1.013435380e+00 -1.013435380e+00 3.74 -9.786898401e-01 -9.786898401e-01 3.76 -9.446467088e-01 -9.446467088e-01 3.78 -9.113056142e-01 -9.113056142e-01 3.80 -8.786749378e-01 -8.786749378e-01 3.82 -8.467720403e-01 -8.467720403e-01 3.84 -8.156225848e-01 -8.156225848e-01 3.86 -7.852587975e-01 -7.852587975e-01 3.88 -7.557166761e-01 -7.557166761e-01 3.90 -7.270323715e-01 -7.270323715e-01 3.92 -6.992381711e-01 -6.992381711e-01 3.94 -6.723586388e-01 -6.723586388e-01 3.96 -6.464074618e-01 -6.464074618e-01 3.98 -6.213854342e-01 -6.213854342e-01 4.00 -5.972797729e-01 -5.972797729e-01 4.02 -5.740647197e-01 -5.740647197e-01 4.04 -5.517031875e-01 -5.517031875e-01 4.06 -5.301490935e-01 -5.301490935e-01 4.08 -5.093500139e-01 -5.093500139e-01 4.10 -4.892498536e-01 -4.892498536e-01 4.12 -4.697913252e-01 -4.697913252e-01 4.14 -4.509181111e-01 -4.509181111e-01 4.16 -4.325766945e-01 -4.325766945e-01 4.18 -4.147178532e-01 -4.147178532e-01 4.20 -3.972978491e-01 -3.972978491e-01 4.22 -3.802793388e-01 -3.802793388e-01 4.24 -3.636320164e-01 -3.636320164e-01 4.26 -3.473329932e-01 -3.473329932e-01 4.28 -3.313669211e-01 -3.313669211e-01 4.30 -3.157258787e-01 -3.157258787e-01 4.32 -3.004090584e-01 -3.004090584e-01 4.34 -2.854223065e-01 -2.854223065e-01 4.36 -2.707775675e-01 -2.707775675e-01 4.38 -2.564922576e-01 -2.564922576e-01 4.40 -2.425885513e-01 -2.425885513e-01 4.42 -2.290925267e-01 -2.290925267e-01 4.44 -2.160330855e-01 -2.160330855e-01 4.46 -2.034405826e-01 -2.034405826e-01 4.48 -1.913451458e-01 -1.913451458e-01 4.50 -1.797747501e-01 -1.797747501e-01 4.52 -1.687531919e-01 -1.687531919e-01 4.54 -1.582981735e-01 -1.582981735e-01 4.56 -1.484197244e-01 -1.484197244e-01 4.58 -1.391191568e-01 -1.391191568e-01 4.60 -1.303886736e-01 -1.303886736e-01 4.62 -1.222116555e-01 -1.222116555e-01 4.64 -1.145635562e-01 -1.145635562e-01 4.66 -1.074132688e-01 -1.074132688e-01 4.68 -1.007247839e-01 -1.007247839e-01 4.70 -9.445897454e-02 -9.445897454e-02 4.72 -8.857535047e-02 -8.857535047e-02 4.74 -8.303341047e-02 -8.303341047e-02 4.76 -7.779438494e-02 -7.779438494e-02 4.78 -7.282291789e-02 -7.282291789e-02 4.80 -6.808723706e-02 -6.808723706e-02 4.82 -6.355988338e-02 -6.355988338e-02 4.84 -5.921823809e-02 -5.921823809e-02 4.86 -5.504480683e-02 -5.504480683e-02 4.88 -5.102726259e-02 -5.102726259e-02 4.90 -4.715825750e-02 -4.715825750e-02 4.92 -4.343500864e-02 -4.343500864e-02 4.94 -3.985867117e-02 -3.985867117e-02 4.96 -3.643352678e-02 -3.643352678e-02 4.98 -3.316603451e-02 -3.316603451e-02 5.00 -3.006380867e-02 -3.006380867e-02 5.02 -2.713460134e-02 -2.713460134e-02 5.04 -2.438536907e-02 -2.438536907e-02 5.06 -2.182149236e-02 -2.182149236e-02 5.08 -1.944620343e-02 -1.944620343e-02 5.10 -1.726024384e-02 -1.726024384e-02 5.12 -1.526175104e-02 -1.526175104e-02 5.14 -1.344630331e-02 -1.344630331e-02 5.16 -1.180692893e-02 -1.180692893e-02 5.18 -1.033526532e-02 -1.033526532e-02 5.20 -9.021505379e-03 -9.021505379e-03 5.22 -7.854729130e-03 -7.854729130e-03 5.24 -6.823358008e-03 -6.823358008e-03 5.26 -5.915559159e-03 -5.915559159e-03 5.28 -5.119585129e-03 -5.119585129e-03 5.30 -4.424043529e-03 -4.424043529e-03 5.32 -3.818098070e-03 -3.818098070e-03 5.34 -3.291606999e-03 -3.291606999e-03 5.36 -2.835207530e-03 -2.835207530e-03 5.38 -2.440355945e-03 -2.440355945e-03 5.40 -2.099332962e-03 -2.099332962e-03 5.42 -1.805223213e-03 -1.805223213e-03 5.44 -1.551876497e-03 -1.551876497e-03 5.46 -1.333857200e-03 -1.333857200e-03 5.48 -1.146386926e-03 -1.146386926e-03 5.50 -9.852842607e-04 -9.852842607e-04 5.52 -8.469044840e-04 -8.469044840e-04 5.54 -7.280812704e-04 -7.280812704e-04 5.56 -6.260716687e-04 -6.260716687e-04 5.58 -5.385051628e-04 -5.385051628e-04 5.60 -4.633372063e-04 -4.633372063e-04 5.62 -3.988073401e-04 -3.988073401e-04 5.64 -3.434018037e-04 -3.434018037e-04 5.66 -2.958204221e-04 -2.958204221e-04 5.68 -2.549474716e-04 -2.549474716e-04 5.70 -2.198261843e-04 -2.198261843e-04 5.72 -1.896365378e-04 -1.896365378e-04 5.74 -1.636759802e-04 -1.636759802e-04 5.76 -1.413427549e-04 -1.413427549e-04 5.78 -1.221215113e-04 -1.221215113e-04 5.80 -1.055709166e-04 -1.055709166e-04 5.82 -9.131300841e-05 -9.131300841e-05 5.84 -7.902405674e-05 -7.902405674e-05 5.86 -6.842673198e-05 -6.842673198e-05 5.88 -5.928339719e-05 -5.928339719e-05 5.90 -5.139036854e-05 -5.139036854e-05 5.92 -4.457300649e-05 -4.457300649e-05 5.94 -3.868151927e-05 -3.868151927e-05 5.96 -3.358737648e-05 -3.358737648e-05 5.98 -2.918024442e-05 -2.918024442e-05 6.00 -2.536536751e-05 -2.536536751e-05