# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNiPt2 # 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 2022-05-24 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 8.050482370e+02 8.050482370e+02 0.98 7.321103517e+02 7.321103517e+02 1.00 6.659613480e+02 6.659613480e+02 1.02 6.059490516e+02 6.059490516e+02 1.04 5.514944086e+02 5.514944086e+02 1.06 5.020737644e+02 5.020737644e+02 1.08 4.572169972e+02 4.572169972e+02 1.10 4.165036218e+02 4.165036218e+02 1.12 3.795453887e+02 3.795453887e+02 1.14 3.459914981e+02 3.459914981e+02 1.16 3.155248220e+02 3.155248220e+02 1.18 2.878599923e+02 2.878599923e+02 1.20 2.627341893e+02 2.627341893e+02 1.22 2.399081562e+02 2.399081562e+02 1.24 2.191708422e+02 2.191708422e+02 1.26 2.003245615e+02 2.003245615e+02 1.28 1.831911779e+02 1.831911779e+02 1.30 1.676060963e+02 1.676060963e+02 1.32 1.534234184e+02 1.534234184e+02 1.34 1.405112384e+02 1.405112384e+02 1.36 1.287491068e+02 1.287491068e+02 1.38 1.180265285e+02 1.180265285e+02 1.40 1.082446163e+02 1.082446163e+02 1.42 9.931317897e+01 9.931317897e+01 1.44 9.115128757e+01 9.115128757e+01 1.46 8.368626867e+01 8.368626867e+01 1.48 7.685243319e+01 7.685243319e+01 1.50 7.058988557e+01 7.058988557e+01 1.52 6.484499576e+01 6.484499576e+01 1.54 5.956892244e+01 5.956892244e+01 1.56 5.471740351e+01 5.471740351e+01 1.58 5.025097364e+01 5.025097364e+01 1.60 4.613585299e+01 4.613585299e+01 1.62 4.234036354e+01 4.234036354e+01 1.64 3.883538902e+01 3.883538902e+01 1.66 3.559518043e+01 3.559518043e+01 1.68 3.259639458e+01 3.259639458e+01 1.70 2.981777931e+01 2.981777931e+01 1.72 2.723972580e+01 2.723972580e+01 1.74 2.484636492e+01 2.484636492e+01 1.76 2.262173250e+01 2.262173250e+01 1.78 2.055108162e+01 2.055108162e+01 1.80 1.862612535e+01 1.862612535e+01 1.82 1.684072833e+01 1.684072833e+01 1.84 1.518646778e+01 1.518646778e+01 1.86 1.365362588e+01 1.365362588e+01 1.88 1.221322324e+01 1.221322324e+01 1.90 1.087204320e+01 1.087204320e+01 1.92 9.620576669e+00 9.620576669e+00 1.94 8.437388614e+00 8.437388614e+00 1.96 7.321212952e+00 7.321212952e+00 1.98 6.269666722e+00 6.269666722e+00 2.00 5.280474246e+00 5.280474246e+00 2.02 4.351530439e+00 4.351530439e+00 2.04 3.480799575e+00 3.480799575e+00 2.06 2.666194398e+00 2.666194398e+00 2.08 1.905602148e+00 1.905602148e+00 2.10 1.197015413e+00 1.197015413e+00 2.12 5.381338912e-01 5.381338912e-01 2.14 -7.246664460e-02 -7.246664460e-02 2.16 -6.363788339e-01 -6.363788339e-01 2.18 -1.156102394e+00 -1.156102394e+00 2.20 -1.633591339e+00 -1.633591339e+00 2.22 -2.070815663e+00 -2.070815663e+00 2.24 -2.469724580e+00 -2.469724580e+00 2.26 -2.831817599e+00 -2.831817599e+00 2.28 -3.158721861e+00 -3.158721861e+00 2.30 -3.452796054e+00 -3.452796054e+00 2.32 -3.716218651e+00 -3.716218651e+00 2.34 -3.950631537e+00 -3.950631537e+00 2.36 -4.157739094e+00 -4.157739094e+00 2.38 -4.339128757e+00 -4.339128757e+00 2.40 -4.496285023e+00 -4.496285023e+00 2.42 -4.631112410e+00 -4.631112410e+00 2.44 -4.744953845e+00 -4.744953845e+00 2.46 -4.839241031e+00 -4.839241031e+00 2.48 -4.915420167e+00 -4.915420167e+00 2.50 -4.974564372e+00 -4.974564372e+00 2.52 -5.018569873e+00 -5.018569873e+00 2.54 -5.047959982e+00 -5.047959982e+00 2.56 -5.064124191e+00 -5.064124191e+00 2.58 -5.068135763e+00 -5.068135763e+00 2.60 -5.062032643e+00 -5.062032643e+00 2.62 -5.046098070e+00 -5.046098070e+00 2.64 -5.020949891e+00 -5.020949891e+00 2.66 -4.987655285e+00 -4.987655285e+00 2.68 -4.947015228e+00 -4.947015228e+00 2.70 -4.899580765e+00 -4.899580765e+00 2.72 -4.846064005e+00 -4.846064005e+00 2.74 -4.787130553e+00 -4.787130553e+00 2.76 -4.723403267e+00 -4.723403267e+00 2.78 -4.655825150e+00 -4.655825150e+00 2.80 -4.584307576e+00 -4.584307576e+00 2.82 -4.509576910e+00 -4.509576910e+00 2.84 -4.431736925e+00 -4.431736925e+00 2.86 -4.351155122e+00 -4.351155122e+00 2.88 -4.268714463e+00 -4.268714463e+00 2.90 -4.184446957e+00 -4.184446957e+00 2.92 -4.097716154e+00 -4.097716154e+00 2.94 -4.010166049e+00 -4.010166049e+00 2.96 -3.922346573e+00 -3.922346573e+00 2.98 -3.834218384e+00 -3.834218384e+00 3.00 -3.745997078e+00 -3.745997078e+00 3.02 -3.657884272e+00 -3.657884272e+00 3.04 -3.570240658e+00 -3.570240658e+00 3.06 -3.483283126e+00 -3.483283126e+00 3.08 -3.396895686e+00 -3.396895686e+00 3.10 -3.311211608e+00 -3.311211608e+00 3.12 -3.226346432e+00 -3.226346432e+00 3.14 -3.142402433e+00 -3.142402433e+00 3.16 -3.059469709e+00 -3.059469709e+00 3.18 -2.977627194e+00 -2.977627194e+00 3.20 -2.896943593e+00 -2.896943593e+00 3.22 -2.817478250e+00 -2.817478250e+00 3.24 -2.739276438e+00 -2.739276438e+00 3.26 -2.663048344e+00 -2.663048344e+00 3.28 -2.588368088e+00 -2.588368088e+00 3.30 -2.515014888e+00 -2.515014888e+00 3.32 -2.443015680e+00 -2.443015680e+00 3.34 -2.372392303e+00 -2.372392303e+00 3.36 -2.303160727e+00 -2.303160727e+00 3.38 -2.235331244e+00 -2.235331244e+00 3.40 -2.168920051e+00 -2.168920051e+00 3.42 -2.103923861e+00 -2.103923861e+00 3.44 -2.040316970e+00 -2.040316970e+00 3.46 -1.978085398e+00 -1.978085398e+00 3.48 -1.917173527e+00 -1.917173527e+00 3.50 -1.857494657e+00 -1.857494657e+00 3.52 -1.798997646e+00 -1.798997646e+00 3.54 -1.741676974e+00 -1.741676974e+00 3.56 -1.685566403e+00 -1.685566403e+00 3.58 -1.630767792e+00 -1.630767792e+00 3.60 -1.577367383e+00 -1.577367383e+00 3.62 -1.525349323e+00 -1.525349323e+00 3.64 -1.474671847e+00 -1.474671847e+00 3.66 -1.425302539e+00 -1.425302539e+00 3.68 -1.377213849e+00 -1.377213849e+00 3.70 -1.330385623e+00 -1.330385623e+00 3.72 -1.284798858e+00 -1.284798858e+00 3.74 -1.240435381e+00 -1.240435381e+00 3.76 -1.197261804e+00 -1.197261804e+00 3.78 -1.155247595e+00 -1.155247595e+00 3.80 -1.114373845e+00 -1.114373845e+00 3.82 -1.074628731e+00 -1.074628731e+00 3.84 -1.036004425e+00 -1.036004425e+00 3.86 -9.984088323e-01 -9.984088323e-01 3.88 -9.617700466e-01 -9.617700466e-01 3.90 -9.261330294e-01 -9.261330294e-01 3.92 -8.915380055e-01 -8.915380055e-01 3.94 -8.580131457e-01 -8.580131457e-01 3.96 -8.255587997e-01 -8.255587997e-01 3.98 -7.941126839e-01 -7.941126839e-01 4.00 -7.637307786e-01 -7.637307786e-01 4.02 -7.344157624e-01 -7.344157624e-01 4.04 -7.060361518e-01 -7.060361518e-01 4.06 -6.784940261e-01 -6.784940261e-01 4.08 -6.517179077e-01 -6.517179077e-01 4.10 -6.256656745e-01 -6.256656745e-01 4.12 -6.003661445e-01 -6.003661445e-01 4.14 -5.757677027e-01 -5.757677027e-01 4.16 -5.517205025e-01 -5.517205025e-01 4.18 -5.282950296e-01 -5.282950296e-01 4.20 -5.051395645e-01 -5.051395645e-01 4.22 -4.821540588e-01 -4.821540588e-01 4.24 -4.593109374e-01 -4.593109374e-01 4.26 -4.366798890e-01 -4.366798890e-01 4.28 -4.142942691e-01 -4.142942691e-01 4.30 -3.928043335e-01 -3.928043335e-01 4.32 -3.719747721e-01 -3.719747721e-01 4.34 -3.515944941e-01 -3.515944941e-01 4.36 -3.316496129e-01 -3.316496129e-01 4.38 -3.122041086e-01 -3.122041086e-01 4.40 -2.933344815e-01 -2.933344815e-01 4.42 -2.750964642e-01 -2.750964642e-01 4.44 -2.575286559e-01 -2.575286559e-01 4.46 -2.406555995e-01 -2.406555995e-01 4.48 -2.244903784e-01 -2.244903784e-01 4.50 -2.090368057e-01 -2.090368057e-01 4.52 -1.942912642e-01 -1.942912642e-01 4.54 -1.802442482e-01 -1.802442482e-01 4.56 -1.668816528e-01 -1.668816528e-01 4.58 -1.541878600e-01 -1.541878600e-01 4.60 -1.425609064e-01 -1.425609064e-01 4.62 -1.319348466e-01 -1.319348466e-01 4.64 -1.218536179e-01 -1.218536179e-01 4.66 -1.122963628e-01 -1.122963628e-01 4.68 -1.032417286e-01 -1.032417286e-01 4.70 -9.466816467e-02 -9.466816467e-02 4.72 -8.655416073e-02 -8.655416073e-02 4.74 -7.887843773e-02 -7.887843773e-02 4.76 -7.162009684e-02 -7.162009684e-02 4.78 -6.476368448e-02 -6.476368448e-02 4.80 -5.831533924e-02 -5.831533924e-02 4.82 -5.301088604e-02 -5.301088604e-02 4.84 -4.803010544e-02 -4.803010544e-02 4.86 -4.332476215e-02 -4.332476215e-02 4.88 -3.887835521e-02 -3.887835521e-02 4.90 -3.467737202e-02 -3.467737202e-02 4.92 -3.070849118e-02 -3.070849118e-02 4.94 -2.692340988e-02 -2.692340988e-02 4.96 -2.398810466e-02 -2.398810466e-02 4.98 -2.181831489e-02 -2.181831489e-02 5.00 -1.974932433e-02 -1.974932433e-02 5.02 -1.780125489e-02 -1.780125489e-02 5.04 -1.596744941e-02 -1.596744941e-02 5.06 -1.424142069e-02 -1.424142069e-02 5.08 -1.261702359e-02 -1.261702359e-02 5.10 -1.108844141e-02 -1.108844141e-02 5.12 -9.650172137e-03 -9.650172137e-03 5.14 -8.297014386e-03 -8.297014386e-03 5.16 -7.024053491e-03 -7.024053491e-03 5.18 -5.826647730e-03 -5.826647730e-03 5.20 -4.700414812e-03 -4.700414812e-03 5.22 -3.641218705e-03 -3.641218705e-03 5.24 -2.645156893e-03 -2.645156893e-03 5.26 -1.708548081e-03 -1.708548081e-03 5.28 -8.284546864e-04 -8.284546864e-04 5.30 -1.296719228e-15 -1.296488859e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 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