# 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 = AuCuNi2 # 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 1.518386763e+02 1.518386763e+02 1.30 1.396454551e+02 1.396454551e+02 1.32 1.284029414e+02 1.284029414e+02 1.34 1.180322126e+02 1.180322126e+02 1.36 1.084618184e+02 1.084618184e+02 1.38 9.962747386e+01 9.962747386e+01 1.40 9.147086588e+01 9.147086588e+01 1.42 8.393840732e+01 8.393840732e+01 1.44 7.698030904e+01 7.698030904e+01 1.46 7.055010939e+01 7.055010939e+01 1.48 6.460477018e+01 6.460477018e+01 1.50 5.910510334e+01 5.910510334e+01 1.52 5.401594419e+01 5.401594419e+01 1.54 4.930566726e+01 4.930566726e+01 1.56 4.494524253e+01 4.494524253e+01 1.58 4.090744678e+01 4.090744678e+01 1.60 3.716669144e+01 3.716669144e+01 1.62 3.370386464e+01 3.370386464e+01 1.64 3.050811946e+01 3.050811946e+01 1.66 2.755958542e+01 2.755958542e+01 1.68 2.484007274e+01 2.484007274e+01 1.70 2.233316629e+01 2.233316629e+01 1.72 2.002371518e+01 2.002371518e+01 1.74 1.789747754e+01 1.789747754e+01 1.76 1.594091457e+01 1.594091457e+01 1.78 1.414118056e+01 1.414118056e+01 1.80 1.248624710e+01 1.248624710e+01 1.82 1.096502319e+01 1.096502319e+01 1.84 9.567374972e+00 9.567374972e+00 1.86 8.284033355e+00 8.284033355e+00 1.88 7.106431793e+00 7.106431793e+00 1.90 6.026536419e+00 6.026536419e+00 1.92 5.036728711e+00 5.036728711e+00 1.94 4.129777405e+00 4.129777405e+00 1.96 3.298895905e+00 3.298895905e+00 1.98 2.537839978e+00 2.537839978e+00 2.00 1.840983384e+00 1.840983384e+00 2.02 1.203329093e+00 1.203329093e+00 2.04 6.204538004e-01 6.204538004e-01 2.06 8.841349484e-02 8.841349484e-02 2.08 -3.963556244e-01 -3.963556244e-01 2.10 -8.371175175e-01 -8.371175175e-01 2.12 -1.236891205e+00 -1.236891205e+00 2.14 -1.598486417e+00 -1.598486417e+00 2.16 -1.924531159e+00 -1.924531159e+00 2.18 -2.217499825e+00 -2.217499825e+00 2.20 -2.479744121e+00 -2.479744121e+00 2.22 -2.713523112e+00 -2.713523112e+00 2.24 -2.921026244e+00 -2.921026244e+00 2.26 -3.104385472e+00 -3.104385472e+00 2.28 -3.265677346e+00 -3.265677346e+00 2.30 -3.406918263e+00 -3.406918263e+00 2.32 -3.530053057e+00 -3.530053057e+00 2.34 -3.636932336e+00 -3.636932336e+00 2.36 -3.729275518e+00 -3.729275518e+00 2.38 -3.808626248e+00 -3.808626248e+00 2.40 -3.876316828e+00 -3.876316828e+00 2.42 -3.933458137e+00 -3.933458137e+00 2.44 -3.980960700e+00 -3.980960700e+00 2.46 -4.019571744e+00 -4.019571744e+00 2.48 -4.049930281e+00 -4.049930281e+00 2.50 -4.072609733e+00 -4.072609733e+00 2.52 -4.088169941e+00 -4.088169941e+00 2.54 -4.097189997e+00 -4.097189997e+00 2.56 -4.100262599e+00 -4.100262599e+00 2.58 -4.097816386e+00 -4.097816386e+00 2.60 -4.089769944e+00 -4.089769944e+00 2.62 -4.076028278e+00 -4.076028278e+00 2.64 -4.056621149e+00 -4.056621149e+00 2.66 -4.031684147e+00 -4.031684147e+00 2.68 -4.001442670e+00 -4.001442670e+00 2.70 -3.966196400e+00 -3.966196400e+00 2.72 -3.926335125e+00 -3.926335125e+00 2.74 -3.882318494e+00 -3.882318494e+00 2.76 -3.834629994e+00 -3.834629994e+00 2.78 -3.783748303e+00 -3.783748303e+00 2.80 -3.730119340e+00 -3.730119340e+00 2.82 -3.674134695e+00 -3.674134695e+00 2.84 -3.616121249e+00 -3.616121249e+00 2.86 -3.556342853e+00 -3.556342853e+00 2.88 -3.495011222e+00 -3.495011222e+00 2.90 -3.432301430e+00 -3.432301430e+00 2.92 -3.368367672e+00 -3.368367672e+00 2.94 -3.303356463e+00 -3.303356463e+00 2.96 -3.237416084e+00 -3.237416084e+00 2.98 -3.170702241e+00 -3.170702241e+00 3.00 -3.103380403e+00 -3.103380403e+00 3.02 -3.035625381e+00 -3.035625381e+00 3.04 -2.967618594e+00 -2.967618594e+00 3.06 -2.899543491e+00 -2.899543491e+00 3.08 -2.831579730e+00 -2.831579730e+00 3.10 -2.763896989e+00 -2.763896989e+00 3.12 -2.696649409e+00 -2.696649409e+00 3.14 -2.629971560e+00 -2.629971560e+00 3.16 -2.563976453e+00 -2.563976453e+00 3.18 -2.498755598e+00 -2.498755598e+00 3.20 -2.434380700e+00 -2.434380700e+00 3.22 -2.370906360e+00 -2.370906360e+00 3.24 -2.308373172e+00 -2.308373172e+00 3.26 -2.246810745e+00 -2.246810745e+00 3.28 -2.186240368e+00 -2.186240368e+00 3.30 -2.126677197e+00 -2.126677197e+00 3.32 -2.068131932e+00 -2.068131932e+00 3.34 -2.010611986e+00 -2.010611986e+00 3.36 -1.954122208e+00 -1.954122208e+00 3.38 -1.898665193e+00 -1.898665193e+00 3.40 -1.844241265e+00 -1.844241265e+00 3.42 -1.790848225e+00 -1.790848225e+00 3.44 -1.738480970e+00 -1.738480970e+00 3.46 -1.687131112e+00 -1.687131112e+00 3.48 -1.636786685e+00 -1.636786685e+00 3.50 -1.587432044e+00 -1.587432044e+00 3.52 -1.539047974e+00 -1.539047974e+00 3.54 -1.491612042e+00 -1.491612042e+00 3.56 -1.445099153e+00 -1.445099153e+00 3.58 -1.399482261e+00 -1.399482261e+00 3.60 -1.354733208e+00 -1.354733208e+00 3.62 -1.310823653e+00 -1.310823653e+00 3.64 -1.267726101e+00 -1.267726101e+00 3.66 -1.225415055e+00 -1.225415055e+00 3.68 -1.183868333e+00 -1.183868333e+00 3.70 -1.143068588e+00 -1.143068588e+00 3.72 -1.103004999e+00 -1.103004999e+00 3.74 -1.063675056e+00 -1.063675056e+00 3.76 -1.025086238e+00 -1.025086238e+00 3.78 -9.872573153e-01 -9.872573153e-01 3.80 -9.502189163e-01 -9.502189163e-01 3.82 -9.140130163e-01 -9.140130163e-01 3.84 -8.786910790e-01 -8.786910790e-01 3.86 -8.443107777e-01 -8.443107777e-01 3.88 -8.109314736e-01 -8.109314736e-01 3.90 -7.786089080e-01 -7.786089080e-01 3.92 -7.473897764e-01 -7.473897764e-01 3.94 -7.173069347e-01 -7.173069347e-01 3.96 -6.883758905e-01 -6.883758905e-01 3.98 -6.605930053e-01 -6.605930053e-01 4.00 -6.339355029e-01 -6.339355029e-01 4.02 -6.083630828e-01 -6.083630828e-01 4.04 -5.838207171e-01 -5.838207171e-01 4.06 -5.602421196e-01 -5.602421196e-01 4.08 -5.375534063e-01 -5.375534063e-01 4.10 -5.156765735e-01 -5.156765735e-01 4.12 -4.945325691e-01 -4.945325691e-01 4.14 -4.740438485e-01 -4.740438485e-01 4.16 -4.541364426e-01 -4.541364426e-01 4.18 -4.347415956e-01 -4.347415956e-01 4.20 -4.157970781e-01 -4.157970781e-01 4.22 -3.972482708e-01 -3.972482708e-01 4.24 -3.790490991e-01 -3.790490991e-01 4.26 -3.611628651e-01 -3.611628651e-01 4.28 -3.435629964e-01 -3.435629964e-01 4.30 -3.262336938e-01 -3.262336938e-01 4.32 -3.091704327e-01 -3.091704327e-01 4.34 -2.923802423e-01 -2.923802423e-01 4.36 -2.758816654e-01 -2.758816654e-01 4.38 -2.597042851e-01 -2.597042851e-01 4.40 -2.438877088e-01 -2.438877088e-01 4.42 -2.284799224e-01 -2.284799224e-01 4.44 -2.135349859e-01 -2.135349859e-01 4.46 -1.991101216e-01 -1.991101216e-01 4.48 -1.852623498e-01 -1.852623498e-01 4.50 -1.720449238e-01 -1.720449238e-01 4.52 -1.595038853e-01 -1.595038853e-01 4.54 -1.476750837e-01 -1.476750837e-01 4.56 -1.365819603e-01 -1.365819603e-01 4.58 -1.262343030e-01 -1.262343030e-01 4.60 -1.166280453e-01 -1.166280453e-01 4.62 -1.077460489e-01 -1.077460489e-01 4.64 -9.955969337e-02 -9.955969337e-02 4.66 -9.203102839e-02 -9.203102839e-02 4.68 -8.511521831e-02 -8.511521831e-02 4.70 -7.876303688e-02 -7.876303688e-02 4.72 -7.292320506e-02 -7.292320506e-02 4.74 -6.754418428e-02 -6.754418428e-02 4.76 -6.257634767e-02 -6.257634767e-02 4.78 -5.797352541e-02 -5.797352541e-02 4.80 -5.369341466e-02 -5.369341466e-02 4.82 -4.969823381e-02 -4.969823381e-02 4.84 -4.595513205e-02 -4.595513205e-02 4.86 -4.243633936e-02 -4.243633936e-02 4.88 -3.911909578e-02 -3.911909578e-02 4.90 -3.598540244e-02 -3.598540244e-02 4.92 -3.302162434e-02 -3.302162434e-02 4.94 -3.021797241e-02 -3.021797241e-02 4.96 -2.756789147e-02 -2.756789147e-02 4.98 -2.506738348e-02 -2.506738348e-02 5.00 -2.271429876e-02 -2.271429876e-02 5.02 -2.050763516e-02 -2.050763516e-02 5.04 -1.844688096e-02 -1.844688096e-02 5.06 -1.653143798e-02 -1.653143798e-02 5.08 -1.476015423e-02 -1.476015423e-02 5.10 -1.313085376e-02 -1.313085376e-02 5.12 -1.164019717e-02 -1.164019717e-02 5.14 -1.028406041e-02 -1.028406041e-02 5.16 -9.057131649e-03 -9.057131649e-03 5.18 -7.953034765e-03 -7.953034765e-03 5.20 -6.964532715e-03 -6.964532715e-03 5.22 -6.083763111e-03 -6.083763111e-03 5.24 -5.302481308e-03 -5.302481308e-03 5.26 -4.612291380e-03 -4.612291380e-03 5.28 -4.004851240e-03 -4.004851240e-03 5.30 -3.472043840e-03 -3.472043840e-03 5.32 -3.006111237e-03 -3.006111237e-03 5.34 -2.599752026e-03 -2.599752026e-03 5.36 -2.246185216e-03 -2.246185216e-03 5.38 -1.939185131e-03 -1.939185131e-03 5.40 -1.673092530e-03 -1.673092530e-03 5.42 -1.442807223e-03 -1.442807223e-03 5.44 -1.243766997e-03 -1.243766997e-03 5.46 -1.071917112e-03 -1.071917112e-03 5.48 -9.236738722e-04 -9.236738722e-04 5.50 -7.958850758e-04 -7.958850758e-04 5.52 -6.857894894e-04 -6.857894894e-04 5.54 -5.909769050e-04 -5.909769050e-04 5.56 -5.093498738e-04 -5.093498738e-04 5.58 -4.390878159e-04 -4.390878159e-04 5.60 -3.786139157e-04 -3.786139157e-04 5.62 -3.265649879e-04 -3.265649879e-04 5.64 -2.817643400e-04 -2.817643400e-04 5.66 -2.431975460e-04 -2.431975460e-04 5.68 -2.099909758e-04 -2.099909758e-04 5.70 -1.813928811e-04 -1.813928811e-04 5.72 -1.567568160e-04 -1.567568160e-04 5.74 -1.355271649e-04 -1.355271649e-04 5.76 -1.172265553e-04 -1.172265553e-04 5.78 -1.014449406e-04 -1.014449406e-04 5.80 -8.783015551e-05 -8.783015551e-05 5.82 -7.607976188e-05 -7.607976188e-05 5.84 -6.593402057e-05 -6.593402057e-05 5.86 -5.716984206e-05 -5.716984206e-05 5.88 -4.959558567e-05 -4.959558567e-05 5.90 -4.304659242e-05 -4.304659242e-05 5.92 -3.738135063e-05 -3.738135063e-05 5.94 -3.247820668e-05 -3.247820668e-05 5.96 -2.823254446e-05 -2.823254446e-05 5.98 -2.455436748e-05 -2.455436748e-05 6.00 -2.136622653e-05 -2.136622653e-05