# 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 = Au2MgPt # 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 4.096827823e+02 4.096827823e+02 1.30 3.808789989e+02 3.808789989e+02 1.32 3.541105181e+02 3.541105181e+02 1.34 3.292233001e+02 3.292233001e+02 1.36 3.060781175e+02 3.060781175e+02 1.38 2.845437739e+02 2.845437739e+02 1.40 2.644950271e+02 2.644950271e+02 1.42 2.458152185e+02 2.458152185e+02 1.44 2.283996468e+02 2.283996468e+02 1.46 2.121560718e+02 2.121560718e+02 1.48 1.970021364e+02 1.970021364e+02 1.50 1.828620102e+02 1.828620102e+02 1.52 1.696640180e+02 1.696640180e+02 1.54 1.573396171e+02 1.573396171e+02 1.56 1.458234897e+02 1.458234897e+02 1.58 1.350543571e+02 1.350543571e+02 1.60 1.249759676e+02 1.249759676e+02 1.62 1.155377006e+02 1.155377006e+02 1.64 1.066944491e+02 1.066944491e+02 1.66 9.840589530e+01 9.840589530e+01 1.68 9.063569970e+01 9.063569970e+01 1.70 8.335096913e+01 8.335096913e+01 1.72 7.652511768e+01 7.652511768e+01 1.74 7.015088860e+01 7.015088860e+01 1.76 6.423244476e+01 6.423244476e+01 1.78 5.877666642e+01 5.877666642e+01 1.80 5.374661954e+01 5.374661954e+01 1.82 4.910736130e+01 4.910736130e+01 1.84 4.482654275e+01 4.482654275e+01 1.86 4.087459693e+01 4.087459693e+01 1.88 3.722474942e+01 3.722474942e+01 1.90 3.385297100e+01 3.385297100e+01 1.92 3.073787922e+01 3.073787922e+01 1.94 2.786049688e+01 2.786049688e+01 1.96 2.520381137e+01 2.520381137e+01 1.98 2.275223569e+01 2.275223569e+01 2.00 2.049116766e+01 2.049116766e+01 2.02 1.840676833e+01 1.840676833e+01 2.04 1.648593867e+01 1.648593867e+01 2.06 1.471638733e+01 1.471638733e+01 2.08 1.308668964e+01 1.308668964e+01 2.10 1.158628911e+01 1.158628911e+01 2.12 1.020544562e+01 1.020544562e+01 2.14 8.935159194e+00 8.935159194e+00 2.16 7.767099475e+00 7.767099475e+00 2.18 6.693555632e+00 6.693555632e+00 2.20 5.707405922e+00 5.707405922e+00 2.22 4.802094331e+00 4.802094331e+00 2.24 3.971607225e+00 3.971607225e+00 2.26 3.210444680e+00 3.210444680e+00 2.28 2.513584832e+00 2.513584832e+00 2.30 1.876440543e+00 1.876440543e+00 2.32 1.294809382e+00 1.294809382e+00 2.34 7.648190496e-01 7.648190496e-01 2.36 2.828739085e-01 2.828739085e-01 2.38 -1.543925207e-01 -1.543925207e-01 2.40 -5.501535819e-01 -5.501535819e-01 2.42 -9.074114125e-01 -9.074114125e-01 2.44 -1.229004470e+00 -1.229004470e+00 2.46 -1.517607934e+00 -1.517607934e+00 2.48 -1.776445233e+00 -1.776445233e+00 2.50 -2.008732598e+00 -2.008732598e+00 2.52 -2.216286556e+00 -2.216286556e+00 2.54 -2.400873406e+00 -2.400873406e+00 2.56 -2.564235996e+00 -2.564235996e+00 2.58 -2.708089771e+00 -2.708089771e+00 2.60 -2.834101769e+00 -2.834101769e+00 2.62 -2.943857249e+00 -2.943857249e+00 2.64 -3.038823820e+00 -3.038823820e+00 2.66 -3.120322192e+00 -3.120322192e+00 2.68 -3.189511806e+00 -3.189511806e+00 2.70 -3.247392394e+00 -3.247392394e+00 2.72 -3.294899814e+00 -3.294899814e+00 2.74 -3.332816193e+00 -3.332816193e+00 2.76 -3.361644944e+00 -3.361644944e+00 2.78 -3.381849041e+00 -3.381849041e+00 2.80 -3.393865931e+00 -3.393865931e+00 2.82 -3.398116370e+00 -3.398116370e+00 2.84 -3.395014066e+00 -3.395014066e+00 2.86 -3.384975100e+00 -3.384975100e+00 2.88 -3.368428613e+00 -3.368428613e+00 2.90 -3.345823109e+00 -3.345823109e+00 2.92 -3.317633423e+00 -3.317633423e+00 2.94 -3.284377413e+00 -3.284377413e+00 2.96 -3.246616907e+00 -3.246616907e+00 2.98 -3.204948429e+00 -3.204948429e+00 3.00 -3.159985038e+00 -3.159985038e+00 3.02 -3.112331881e+00 -3.112331881e+00 3.04 -3.062559876e+00 -3.062559876e+00 3.06 -3.011184034e+00 -3.011184034e+00 3.08 -2.958646485e+00 -2.958646485e+00 3.10 -2.905310888e+00 -2.905310888e+00 3.12 -2.851463365e+00 -2.851463365e+00 3.14 -2.797320588e+00 -2.797320588e+00 3.16 -2.743039970e+00 -2.743039970e+00 3.18 -2.688733014e+00 -2.688733014e+00 3.20 -2.634477555e+00 -2.634477555e+00 3.22 -2.580330014e+00 -2.580330014e+00 3.24 -2.526372912e+00 -2.526372912e+00 3.26 -2.472718515e+00 -2.472718515e+00 3.28 -2.419459635e+00 -2.419459635e+00 3.30 -2.366673696e+00 -2.366673696e+00 3.32 -2.314427731e+00 -2.314427731e+00 3.34 -2.262781307e+00 -2.262781307e+00 3.36 -2.211788034e+00 -2.211788034e+00 3.38 -2.161496276e+00 -2.161496276e+00 3.40 -2.111959569e+00 -2.111959569e+00 3.42 -2.063221680e+00 -2.063221680e+00 3.44 -2.015301755e+00 -2.015301755e+00 3.46 -1.968217648e+00 -1.968217648e+00 3.48 -1.921985655e+00 -1.921985655e+00 3.50 -1.876620162e+00 -1.876620162e+00 3.52 -1.832133269e+00 -1.832133269e+00 3.54 -1.788534405e+00 -1.788534405e+00 3.56 -1.745829918e+00 -1.745829918e+00 3.58 -1.704016675e+00 -1.704016675e+00 3.60 -1.663069255e+00 -1.663069255e+00 3.62 -1.622959346e+00 -1.622959346e+00 3.64 -1.583659755e+00 -1.583659755e+00 3.66 -1.545143677e+00 -1.545143677e+00 3.68 -1.507384184e+00 -1.507384184e+00 3.70 -1.470353911e+00 -1.470353911e+00 3.72 -1.434024898e+00 -1.434024898e+00 3.74 -1.398368606e+00 -1.398368606e+00 3.76 -1.363356061e+00 -1.363356061e+00 3.78 -1.328958104e+00 -1.328958104e+00 3.80 -1.295145684e+00 -1.295145684e+00 3.82 -1.261890172e+00 -1.261890172e+00 3.84 -1.229163603e+00 -1.229163603e+00 3.86 -1.196938839e+00 -1.196938839e+00 3.88 -1.165189614e+00 -1.165189614e+00 3.90 -1.133890474e+00 -1.133890474e+00 3.92 -1.103016593e+00 -1.103016593e+00 3.94 -1.072543925e+00 -1.072543925e+00 3.96 -1.042448776e+00 -1.042448776e+00 3.98 -1.012708273e+00 -1.012708273e+00 4.00 -9.833007040e-01 -9.833007040e-01 4.02 -9.542062488e-01 -9.542062488e-01 4.04 -9.254080100e-01 -9.254080100e-01 4.06 -8.968933279e-01 -8.968933279e-01 4.08 -8.686552919e-01 -8.686552919e-01 4.10 -8.406940520e-01 -8.406940520e-01 4.12 -8.130194100e-01 -8.130194100e-01 4.14 -7.856501713e-01 -7.856501713e-01 4.16 -7.586159665e-01 -7.586159665e-01 4.18 -7.319567074e-01 -7.319567074e-01 4.20 -7.057214711e-01 -7.057214711e-01 4.22 -6.799664552e-01 -6.799664552e-01 4.24 -6.547521207e-01 -6.547521207e-01 4.26 -6.301397655e-01 -6.301397655e-01 4.28 -6.061878680e-01 -6.061878680e-01 4.30 -5.829485674e-01 -5.829485674e-01 4.32 -5.604646195e-01 -5.604646195e-01 4.34 -5.387670808e-01 -5.387670808e-01 4.36 -5.178738630e-01 -5.178738630e-01 4.38 -4.977891838e-01 -4.977891838e-01 4.40 -4.785038496e-01 -4.785038496e-01 4.42 -4.599962333e-01 -4.599962333e-01 4.44 -4.422337767e-01 -4.422337767e-01 4.46 -4.251748362e-01 -4.251748362e-01 4.48 -4.087706990e-01 -4.087706990e-01 4.50 -3.929676268e-01 -3.929676268e-01 4.52 -3.777088154e-01 -3.777088154e-01 4.54 -3.629362008e-01 -3.629362008e-01 4.56 -3.485920785e-01 -3.485920785e-01 4.58 -3.346205347e-01 -3.346205347e-01 4.60 -3.209687087e-01 -3.209687087e-01 4.62 -3.075879212e-01 -3.075879212e-01 4.64 -2.944346989e-01 -2.944346989e-01 4.66 -2.814717223e-01 -2.814717223e-01 4.68 -2.686687049e-01 -2.686687049e-01 4.70 -2.560031900e-01 -2.560031900e-01 4.72 -2.434612305e-01 -2.434612305e-01 4.74 -2.310378947e-01 -2.310378947e-01 4.76 -2.187375269e-01 -2.187375269e-01 4.78 -2.065736868e-01 -2.065736868e-01 4.80 -1.945685090e-01 -1.945685090e-01 4.82 -1.827526351e-01 -1.827526351e-01 4.84 -1.711626371e-01 -1.711626371e-01 4.86 -1.598402098e-01 -1.598402098e-01 4.88 -1.488299408e-01 -1.488299408e-01 4.90 -1.381771475e-01 -1.381771475e-01 4.92 -1.279257003e-01 -1.279257003e-01 4.94 -1.181159873e-01 -1.181159873e-01 4.96 -1.087831600e-01 -1.087831600e-01 4.98 -9.995576234e-02 -9.995576234e-02 5.00 -9.165480170e-02 -9.165480170e-02 5.02 -8.389327691e-02 -8.389327691e-02 5.04 -7.667613692e-02 -7.667613692e-02 5.06 -7.000061661e-02 -7.000061661e-02 5.08 -6.385687758e-02 -6.385687758e-02 5.10 -5.822887839e-02 -5.822887839e-02 5.12 -5.309537746e-02 -5.309537746e-02 5.14 -4.843101159e-02 -4.843101159e-02 5.16 -4.420739178e-02 -4.420739178e-02 5.18 -4.039415201e-02 -4.039415201e-02 5.20 -3.695984161e-02 -3.695984161e-02 5.22 -3.387205678e-02 -3.387205678e-02 5.24 -3.110001417e-02 -3.110001417e-02 5.26 -2.861417265e-02 -2.861417265e-02 5.28 -2.638646563e-02 -2.638646563e-02 5.30 -2.439045177e-02 -2.439045177e-02 5.32 -2.260104624e-02 -2.260104624e-02 5.34 -2.099528118e-02 -2.099528118e-02 5.36 -1.955232375e-02 -1.955232375e-02 5.38 -1.825342147e-02 -1.825342147e-02 5.40 -1.708180529e-02 -1.708180529e-02 5.42 -1.602256393e-02 -1.602256393e-02 5.44 -1.506247221e-02 -1.506247221e-02 5.46 -1.418984410e-02 -1.418984410e-02 5.48 -1.339447919e-02 -1.339447919e-02 5.50 -1.266743046e-02 -1.266743046e-02 5.52 -1.200085950e-02 -1.200085950e-02 5.54 -1.138790432e-02 -1.138790432e-02 5.56 -1.082255809e-02 -1.082255809e-02 5.58 -1.029955951e-02 -1.029955951e-02 5.60 -9.814295295e-03 -9.814295295e-03 5.62 -9.362714242e-03 -9.362714242e-03 5.64 -8.941252387e-03 -8.941252387e-03 5.66 -8.546768129e-03 -8.546768129e-03 5.68 -8.176486294e-03 -8.176486294e-03 5.70 -7.827949988e-03 -7.827949988e-03 5.72 -7.498979131e-03 -7.498979131e-03 5.74 -7.187634709e-03 -7.187634709e-03 5.76 -6.892187873e-03 -6.892187873e-03 5.78 -6.611093184e-03 -6.611093184e-03 5.80 -6.342965409e-03 -6.342965409e-03 5.82 -6.086559422e-03 -6.086559422e-03 5.84 -5.840752830e-03 -5.840752830e-03 5.86 -5.604531052e-03 -5.604531052e-03 5.88 -5.376974616e-03 -5.376974616e-03 5.90 -5.157248507e-03 -5.157248507e-03 5.92 -4.944593431e-03 -4.944593431e-03 5.94 -4.738318861e-03 -4.738318861e-03 5.96 -4.537797801e-03 -4.537797801e-03 5.98 -4.342463139e-03 -4.342463139e-03 6.00 -4.151805528e-03 -4.151805528e-03