# 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 = Co2CuZr # 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 1.706285319e+02 1.706285319e+02 1.30 1.570681583e+02 1.570681583e+02 1.32 1.445667470e+02 1.445667470e+02 1.34 1.330359783e+02 1.330359783e+02 1.36 1.223947272e+02 1.223947272e+02 1.38 1.125697072e+02 1.125697072e+02 1.40 1.034951688e+02 1.034951688e+02 1.42 9.511162577e+01 9.511162577e+01 1.44 8.736426893e+01 8.736426893e+01 1.46 8.020211010e+01 8.020211010e+01 1.48 7.357816048e+01 7.357816048e+01 1.50 6.744975209e+01 6.744975209e+01 1.52 6.177826749e+01 6.177826749e+01 1.54 5.652842686e+01 5.652842686e+01 1.56 5.166783626e+01 5.166783626e+01 1.58 4.716694617e+01 4.716694617e+01 1.60 4.299905258e+01 4.299905258e+01 1.62 3.914001997e+01 3.914001997e+01 1.64 3.556778041e+01 3.556778041e+01 1.66 3.226183089e+01 3.226183089e+01 1.68 2.920295495e+01 2.920295495e+01 1.70 2.637322569e+01 2.637322569e+01 1.72 2.375601473e+01 2.375601473e+01 1.74 2.133630152e+01 2.133630152e+01 1.76 1.909952411e+01 1.909952411e+01 1.78 1.703212604e+01 1.703212604e+01 1.80 1.512244136e+01 1.512244136e+01 1.82 1.335865244e+01 1.335865244e+01 1.84 1.172980040e+01 1.172980040e+01 1.86 1.022585235e+01 1.022585235e+01 1.88 8.837650766e+00 8.837650766e+00 1.90 7.556868372e+00 7.556868372e+00 1.92 6.375913716e+00 6.375913716e+00 1.94 5.287798804e+00 5.287798804e+00 1.96 4.286010730e+00 4.286010730e+00 1.98 3.364460870e+00 3.364460870e+00 2.00 2.517484819e+00 2.517484819e+00 2.02 1.739845776e+00 1.739845776e+00 2.04 1.026712798e+00 1.026712798e+00 2.06 3.736035321e-01 3.736035321e-01 2.08 -2.236950213e-01 -2.236950213e-01 2.10 -7.691800804e-01 -7.691800804e-01 2.12 -1.266654401e+00 -1.266654401e+00 2.14 -1.719714083e+00 -1.719714083e+00 2.16 -2.131712368e+00 -2.131712368e+00 2.18 -2.505740785e+00 -2.505740785e+00 2.20 -2.844628619e+00 -2.844628619e+00 2.22 -3.150980249e+00 -3.150980249e+00 2.24 -3.427214202e+00 -3.427214202e+00 2.26 -3.675591248e+00 -3.675591248e+00 2.28 -3.898238995e+00 -3.898238995e+00 2.30 -4.097135043e+00 -4.097135043e+00 2.32 -4.274129942e+00 -4.274129942e+00 2.34 -4.430924577e+00 -4.430924577e+00 2.36 -4.569083992e+00 -4.569083992e+00 2.38 -4.690038194e+00 -4.690038194e+00 2.40 -4.795094599e+00 -4.795094599e+00 2.42 -4.885465262e+00 -4.885465262e+00 2.44 -4.962354344e+00 -4.962354344e+00 2.46 -5.026811752e+00 -5.026811752e+00 2.48 -5.079803406e+00 -5.079803406e+00 2.50 -5.122273998e+00 -5.122273998e+00 2.52 -5.155133393e+00 -5.155133393e+00 2.54 -5.179245287e+00 -5.179245287e+00 2.56 -5.195421815e+00 -5.195421815e+00 2.58 -5.204385360e+00 -5.204385360e+00 2.60 -5.206642131e+00 -5.206642131e+00 2.62 -5.202640655e+00 -5.202640655e+00 2.64 -5.192829223e+00 -5.192829223e+00 2.66 -5.177631361e+00 -5.177631361e+00 2.68 -5.157506899e+00 -5.157506899e+00 2.70 -5.132838956e+00 -5.132838956e+00 2.72 -5.103919213e+00 -5.103919213e+00 2.74 -5.071036500e+00 -5.071036500e+00 2.76 -5.034470834e+00 -5.034470834e+00 2.78 -4.994598737e+00 -4.994598737e+00 2.80 -4.951748018e+00 -4.951748018e+00 2.82 -4.905911576e+00 -4.905911576e+00 2.84 -4.857103417e+00 -4.857103417e+00 2.86 -4.805341902e+00 -4.805341902e+00 2.88 -4.750596411e+00 -4.750596411e+00 2.90 -4.692862530e+00 -4.692862530e+00 2.92 -4.632186130e+00 -4.632186130e+00 2.94 -4.568663044e+00 -4.568663044e+00 2.96 -4.502451181e+00 -4.502451181e+00 2.98 -4.433759865e+00 -4.433759865e+00 3.00 -4.362830051e+00 -4.362830051e+00 3.02 -4.289926646e+00 -4.289926646e+00 3.04 -4.215326894e+00 -4.215326894e+00 3.06 -4.139318432e+00 -4.139318432e+00 3.08 -4.062173033e+00 -4.062173033e+00 3.10 -3.984147219e+00 -3.984147219e+00 3.12 -3.905470603e+00 -3.905470603e+00 3.14 -3.826352815e+00 -3.826352815e+00 3.16 -3.746969888e+00 -3.746969888e+00 3.18 -3.667478830e+00 -3.667478830e+00 3.20 -3.588019892e+00 -3.588019892e+00 3.22 -3.508722053e+00 -3.508722053e+00 3.24 -3.429708277e+00 -3.429708277e+00 3.26 -3.351100026e+00 -3.351100026e+00 3.28 -3.273020303e+00 -3.273020303e+00 3.30 -3.195594392e+00 -3.195594392e+00 3.32 -3.118947757e+00 -3.118947757e+00 3.34 -3.043201366e+00 -3.043201366e+00 3.36 -2.968465626e+00 -2.968465626e+00 3.38 -2.894834614e+00 -2.894834614e+00 3.40 -2.822381049e+00 -2.822381049e+00 3.42 -2.751159827e+00 -2.751159827e+00 3.44 -2.681201663e+00 -2.681201663e+00 3.46 -2.612521448e+00 -2.612521448e+00 3.48 -2.545120373e+00 -2.545120373e+00 3.50 -2.478989287e+00 -2.478989287e+00 3.52 -2.414111367e+00 -2.414111367e+00 3.54 -2.350463946e+00 -2.350463946e+00 3.56 -2.288019661e+00 -2.288019661e+00 3.58 -2.226747154e+00 -2.226747154e+00 3.60 -2.166611624e+00 -2.166611624e+00 3.62 -2.107575498e+00 -2.107575498e+00 3.64 -2.049599400e+00 -2.049599400e+00 3.66 -1.992643577e+00 -1.992643577e+00 3.68 -1.936669816e+00 -1.936669816e+00 3.70 -1.881643830e+00 -1.881643830e+00 3.72 -1.827537979e+00 -1.827537979e+00 3.74 -1.774334125e+00 -1.774334125e+00 3.76 -1.722026279e+00 -1.722026279e+00 3.78 -1.670622676e+00 -1.670622676e+00 3.80 -1.620146830e+00 -1.620146830e+00 3.82 -1.570637182e+00 -1.570637182e+00 3.84 -1.522145057e+00 -1.522145057e+00 3.86 -1.474730876e+00 -1.474730876e+00 3.88 -1.428458882e+00 -1.428458882e+00 3.90 -1.383390966e+00 -1.383390966e+00 3.92 -1.339579082e+00 -1.339579082e+00 3.94 -1.297065543e+00 -1.297065543e+00 3.96 -1.255870322e+00 -1.255870322e+00 3.98 -1.215995722e+00 -1.215995722e+00 4.00 -1.177425123e+00 -1.177425123e+00 4.02 -1.140125157e+00 -1.140125157e+00 4.04 -1.104049029e+00 -1.104049029e+00 4.06 -1.069140369e+00 -1.069140369e+00 4.08 -1.035337076e+00 -1.035337076e+00 4.10 -1.002570996e+00 -1.002570996e+00 4.12 -9.707867219e-01 -9.707867219e-01 4.14 -9.399188697e-01 -9.399188697e-01 4.16 -9.099115146e-01 -9.099115146e-01 4.18 -8.807148170e-01 -8.807148170e-01 4.20 -8.522859419e-01 -8.522859419e-01 4.22 -8.245896172e-01 -8.245896172e-01 4.24 -7.975983377e-01 -7.975983377e-01 4.26 -7.712922031e-01 -7.712922031e-01 4.28 -7.456583875e-01 -7.456583875e-01 4.30 -7.206902629e-01 -7.206902629e-01 4.32 -6.963862433e-01 -6.963862433e-01 4.34 -6.727484543e-01 -6.727484543e-01 4.36 -6.497813548e-01 -6.497813548e-01 4.38 -6.274904237e-01 -6.274904237e-01 4.40 -6.058809926e-01 -6.058809926e-01 4.42 -5.849572556e-01 -5.849572556e-01 4.44 -5.647214474e-01 -5.647214474e-01 4.46 -5.451731646e-01 -5.451731646e-01 4.48 -5.263088066e-01 -5.263088066e-01 4.50 -5.081211369e-01 -5.081211369e-01 4.52 -4.905989846e-01 -4.905989846e-01 4.54 -4.737271170e-01 -4.737271170e-01 4.56 -4.574863117e-01 -4.574863117e-01 4.58 -4.418536348e-01 -4.418536348e-01 4.60 -4.268029126e-01 -4.268029126e-01 4.62 -4.123053579e-01 -4.123053579e-01 4.64 -3.983303023e-01 -3.983303023e-01 4.66 -3.848459813e-01 -3.848459813e-01 4.68 -3.718203270e-01 -3.718203270e-01 4.70 -3.592217330e-01 -3.592217330e-01 4.72 -3.470197728e-01 -3.470197728e-01 4.74 -3.351858606e-01 -3.351858606e-01 4.76 -3.236938542e-01 -3.236938542e-01 4.78 -3.125205961e-01 -3.125205961e-01 4.80 -3.016432401e-01 -3.016432401e-01 4.82 -2.910527775e-01 -2.910527775e-01 4.84 -2.807337283e-01 -2.807337283e-01 4.86 -2.706786892e-01 -2.706786892e-01 4.88 -2.608844941e-01 -2.608844941e-01 4.90 -2.513519478e-01 -2.513519478e-01 4.92 -2.420853125e-01 -2.420853125e-01 4.94 -2.330915442e-01 -2.330915442e-01 4.96 -2.243793166e-01 -2.243793166e-01 4.98 -2.159578965e-01 -2.159578965e-01 5.00 -2.078359752e-01 -2.078359752e-01 5.02 -2.000205666e-01 -2.000205666e-01 5.04 -1.925160855e-01 -1.925160855e-01 5.06 -1.853236912e-01 -1.853236912e-01 5.08 -1.784408199e-01 -1.784408199e-01 5.10 -1.718613345e-01 -1.718613345e-01 5.12 -1.655759904e-01 -1.655759904e-01 5.14 -1.595726168e-01 -1.595726168e-01 5.16 -1.538367570e-01 -1.538367570e-01 5.18 -1.483523745e-01 -1.483523745e-01 5.20 -1.431025531e-01 -1.431025531e-01 5.22 -1.380701410e-01 -1.380701410e-01 5.24 -1.332383113e-01 -1.332383113e-01 5.26 -1.285910239e-01 -1.285910239e-01 5.28 -1.241133896e-01 -1.241133896e-01 5.30 -1.197919416e-01 -1.197919416e-01 5.32 -1.156148260e-01 -1.156148260e-01 5.34 -1.115719178e-01 -1.115719178e-01 5.36 -1.076548722e-01 -1.076548722e-01 5.38 -1.038571127e-01 -1.038571127e-01 5.40 -1.001737591e-01 -1.001737591e-01 5.42 -9.660149587e-02 -9.660149587e-02 5.44 -9.313838239e-02 -9.313838239e-02 5.46 -8.978361064e-02 -8.978361064e-02 5.48 -8.653721936e-02 -8.653721936e-02 5.50 -8.339977956e-02 -8.339977956e-02 5.52 -8.037207186e-02 -8.037207186e-02 5.54 -7.745477662e-02 -7.745477662e-02 5.56 -7.464819930e-02 -7.464819930e-02 5.58 -7.195204976e-02 -7.195204976e-02 5.60 -6.936522510e-02 -6.936522510e-02 5.62 -6.688578311e-02 -6.688578311e-02 5.64 -6.451108890e-02 -6.451108890e-02 5.66 -6.223768495e-02 -6.223768495e-02 5.68 -6.006138684e-02 -6.006138684e-02 5.70 -5.797741397e-02 -5.797741397e-02 5.72 -5.598053454e-02 -5.598053454e-02 5.74 -5.406521093e-02 -5.406521093e-02 5.76 -5.222573497e-02 -5.222573497e-02 5.78 -5.045634602e-02 -5.045634602e-02 5.80 -4.875132863e-02 -4.875132863e-02 5.82 -4.710508872e-02 -4.710508872e-02 5.84 -4.551220983e-02 -4.551220983e-02 5.86 -4.396749222e-02 -4.396749222e-02 5.88 -4.246597808e-02 -4.246597808e-02 5.90 -4.100296675e-02 -4.100296675e-02 5.92 -3.957402363e-02 -3.957402363e-02 5.94 -3.817498603e-02 -3.817498603e-02 5.96 -3.680196897e-02 -3.680196897e-02 5.98 -3.545137342e-02 -3.545137342e-02 6.00 -3.411989893e-02 -3.411989893e-02