# 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 = Co2NiPb # 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 1.983146167e+02 1.983146167e+02 1.30 1.834630170e+02 1.834630170e+02 1.32 1.697308830e+02 1.697308830e+02 1.34 1.570266503e+02 1.570266503e+02 1.36 1.452666760e+02 1.452666760e+02 1.38 1.343749687e+02 1.343749687e+02 1.40 1.242828374e+02 1.242828374e+02 1.42 1.149282775e+02 1.149282775e+02 1.44 1.062549713e+02 1.062549713e+02 1.46 9.821122210e+01 9.821122210e+01 1.48 9.074919842e+01 9.074919842e+01 1.50 8.382448577e+01 8.382448577e+01 1.52 7.739589583e+01 7.739589583e+01 1.54 7.142544443e+01 7.142544443e+01 1.56 6.587827296e+01 6.587827296e+01 1.58 6.072238715e+01 6.072238715e+01 1.60 5.592834530e+01 5.592834530e+01 1.62 5.146911153e+01 5.146911153e+01 1.64 4.732010197e+01 4.732010197e+01 1.66 4.346465033e+01 4.346465033e+01 1.68 3.988737204e+01 3.988737204e+01 1.70 3.656881663e+01 3.656881663e+01 1.72 3.349095614e+01 3.349095614e+01 1.74 3.063688905e+01 3.063688905e+01 1.76 2.799061440e+01 2.799061440e+01 1.78 2.553695001e+01 2.553695001e+01 1.80 2.326162956e+01 2.326162956e+01 1.82 2.115149819e+01 2.115149819e+01 1.84 1.919462612e+01 1.919462612e+01 1.86 1.738024587e+01 1.738024587e+01 1.88 1.569855562e+01 1.569855562e+01 1.90 1.414047668e+01 1.414047668e+01 1.92 1.269746783e+01 1.269746783e+01 1.94 1.136144284e+01 1.136144284e+01 1.96 1.012477078e+01 1.012477078e+01 1.98 8.980313599e+00 8.980313599e+00 2.00 7.921441991e+00 7.921441991e+00 2.02 6.942019660e+00 6.942019660e+00 2.04 6.036372032e+00 6.036372032e+00 2.06 5.199257925e+00 5.199257925e+00 2.08 4.425845550e+00 4.425845550e+00 2.10 3.711690124e+00 3.711690124e+00 2.12 3.052705911e+00 3.052705911e+00 2.14 2.445132432e+00 2.445132432e+00 2.16 1.885502614e+00 1.885502614e+00 2.18 1.370615365e+00 1.370615365e+00 2.20 8.975094587e-01 8.975094587e-01 2.22 4.634366674e-01 4.634366674e-01 2.24 6.582859045e-02 6.582859045e-02 2.26 -2.977397424e-01 -2.977397424e-01 2.28 -6.295876114e-01 -6.295876114e-01 2.30 -9.319520829e-01 -9.319520829e-01 2.32 -1.207007454e+00 -1.207007454e+00 2.34 -1.456855979e+00 -1.456855979e+00 2.36 -1.683510179e+00 -1.683510179e+00 2.38 -1.888860216e+00 -1.888860216e+00 2.40 -2.074643815e+00 -2.074643815e+00 2.42 -2.242429539e+00 -2.242429539e+00 2.44 -2.393618754e+00 -2.393618754e+00 2.46 -2.529539273e+00 -2.529539273e+00 2.48 -2.651296188e+00 -2.651296188e+00 2.50 -2.759810537e+00 -2.759810537e+00 2.52 -2.855946577e+00 -2.855946577e+00 2.54 -2.940522118e+00 -2.940522118e+00 2.56 -3.014318799e+00 -3.014318799e+00 2.58 -3.078090959e+00 -3.078090959e+00 2.60 -3.132567748e+00 -3.132567748e+00 2.62 -3.178336157e+00 -3.178336157e+00 2.64 -3.215766532e+00 -3.215766532e+00 2.66 -3.245232283e+00 -3.245232283e+00 2.68 -3.267131452e+00 -3.267131452e+00 2.70 -3.281878290e+00 -3.281878290e+00 2.72 -3.289900705e+00 -3.289900705e+00 2.74 -3.291638546e+00 -3.291638546e+00 2.76 -3.287539102e+00 -3.287539102e+00 2.78 -3.278048431e+00 -3.278048431e+00 2.80 -3.263601404e+00 -3.263601404e+00 2.82 -3.244609484e+00 -3.244609484e+00 2.84 -3.221454291e+00 -3.221454291e+00 2.86 -3.194484194e+00 -3.194484194e+00 2.88 -3.164015580e+00 -3.164015580e+00 2.90 -3.130337395e+00 -3.130337395e+00 2.92 -3.093717635e+00 -3.093717635e+00 2.94 -3.054410706e+00 -3.054410706e+00 2.96 -3.012664784e+00 -3.012664784e+00 2.98 -2.968728349e+00 -2.968728349e+00 3.00 -2.922877280e+00 -2.922877280e+00 3.02 -2.875382703e+00 -2.875382703e+00 3.04 -2.826466868e+00 -2.826466868e+00 3.06 -2.776361504e+00 -2.776361504e+00 3.08 -2.725293780e+00 -2.725293780e+00 3.10 -2.673479441e+00 -2.673479441e+00 3.12 -2.621114129e+00 -2.621114129e+00 3.14 -2.568373259e+00 -2.568373259e+00 3.16 -2.515404777e+00 -2.515404777e+00 3.18 -2.462329654e+00 -2.462329654e+00 3.20 -2.409255783e+00 -2.409255783e+00 3.22 -2.356282179e+00 -2.356282179e+00 3.24 -2.303499976e+00 -2.303499976e+00 3.26 -2.250992453e+00 -2.250992453e+00 3.28 -2.198834663e+00 -2.198834663e+00 3.30 -2.147093196e+00 -2.147093196e+00 3.32 -2.095826314e+00 -2.095826314e+00 3.34 -2.045084478e+00 -2.045084478e+00 3.36 -1.994911084e+00 -1.994911084e+00 3.38 -1.945343231e+00 -1.945343231e+00 3.40 -1.896412185e+00 -1.896412185e+00 3.42 -1.848144665e+00 -1.848144665e+00 3.44 -1.800561886e+00 -1.800561886e+00 3.46 -1.753680657e+00 -1.753680657e+00 3.48 -1.707513308e+00 -1.707513308e+00 3.50 -1.662067861e+00 -1.662067861e+00 3.52 -1.617348284e+00 -1.617348284e+00 3.54 -1.573354838e+00 -1.573354838e+00 3.56 -1.530084556e+00 -1.530084556e+00 3.58 -1.487531847e+00 -1.487531847e+00 3.60 -1.445689225e+00 -1.445689225e+00 3.62 -1.404548158e+00 -1.404548158e+00 3.64 -1.364099997e+00 -1.364099997e+00 3.66 -1.324336963e+00 -1.324336963e+00 3.68 -1.285253119e+00 -1.285253119e+00 3.70 -1.246845292e+00 -1.246845292e+00 3.72 -1.209113839e+00 -1.209113839e+00 3.74 -1.172063244e+00 -1.172063244e+00 3.76 -1.135702462e+00 -1.135702462e+00 3.78 -1.100045022e+00 -1.100045022e+00 3.80 -1.065108833e+00 -1.065108833e+00 3.82 -1.030915683e+00 -1.030915683e+00 3.84 -9.974903784e-01 -9.974903784e-01 3.86 -9.648594740e-01 -9.648594740e-01 3.88 -9.330496036e-01 -9.330496036e-01 3.90 -9.020854774e-01 -9.020854774e-01 3.92 -8.719873576e-01 -8.719873576e-01 3.94 -8.427705426e-01 -8.427705426e-01 3.96 -8.144412672e-01 -8.144412672e-01 3.98 -7.869973651e-01 -7.869973651e-01 4.00 -7.604275236e-01 -7.604275236e-01 4.02 -7.347117489e-01 -7.347117489e-01 4.04 -7.098224678e-01 -7.098224678e-01 4.06 -6.857260762e-01 -6.857260762e-01 4.08 -6.623847261e-01 -6.623847261e-01 4.10 -6.397571912e-01 -6.397571912e-01 4.12 -6.178047194e-01 -6.178047194e-01 4.14 -5.964862075e-01 -5.964862075e-01 4.16 -5.757641203e-01 -5.757641203e-01 4.18 -5.556044690e-01 -5.556044690e-01 4.20 -5.359777324e-01 -5.359777324e-01 4.22 -5.168594940e-01 -5.168594940e-01 4.24 -4.982307566e-01 -4.982307566e-01 4.26 -4.800779048e-01 -4.800779048e-01 4.28 -4.623923093e-01 -4.623923093e-01 4.30 -4.451696175e-01 -4.451696175e-01 4.32 -4.284088209e-01 -4.284088209e-01 4.34 -4.121112361e-01 -4.121112361e-01 4.36 -3.962795433e-01 -3.962795433e-01 4.38 -3.809170013e-01 -3.809170013e-01 4.40 -3.660268926e-01 -3.660268926e-01 4.42 -3.516121804e-01 -3.516121804e-01 4.44 -3.376752926e-01 -3.376752926e-01 4.46 -3.242179233e-01 -3.242179233e-01 4.48 -3.112407517e-01 -3.112407517e-01 4.50 -2.987430305e-01 -2.987430305e-01 4.52 -2.867220539e-01 -2.867220539e-01 4.54 -2.751725751e-01 -2.751725751e-01 4.56 -2.640862762e-01 -2.640862762e-01 4.58 -2.534513912e-01 -2.534513912e-01 4.60 -2.432525635e-01 -2.432525635e-01 4.62 -2.334709729e-01 -2.334709729e-01 4.64 -2.240847267e-01 -2.240847267e-01 4.66 -2.150694727e-01 -2.150694727e-01 4.68 -2.063991703e-01 -2.063991703e-01 4.70 -1.980469541e-01 -1.980469541e-01 4.72 -1.899860282e-01 -1.899860282e-01 4.74 -1.821905465e-01 -1.821905465e-01 4.76 -1.746364435e-01 -1.746364435e-01 4.78 -1.673021945e-01 -1.673021945e-01 4.80 -1.601687090e-01 -1.601687090e-01 4.82 -1.532231201e-01 -1.532231201e-01 4.84 -1.464541514e-01 -1.464541514e-01 4.86 -1.398558823e-01 -1.398558823e-01 4.88 -1.334268517e-01 -1.334268517e-01 4.90 -1.271698336e-01 -1.271698336e-01 4.92 -1.210913408e-01 -1.210913408e-01 4.94 -1.152008556e-01 -1.152008556e-01 4.96 -1.095098280e-01 -1.095098280e-01 4.98 -1.040305131e-01 -1.040305131e-01 5.00 -9.877475367e-02 -9.877475367e-02 5.02 -9.375283330e-02 -9.375283330e-02 5.04 -8.897251792e-02 -8.897251792e-02 5.06 -8.443837670e-02 -8.443837670e-02 5.08 -8.015107113e-02 -8.015107113e-02 5.10 -7.610782554e-02 -7.610782554e-02 5.12 -7.230328075e-02 -7.230328075e-02 5.14 -6.872913399e-02 -6.872913399e-02 5.16 -6.537481837e-02 -6.537481837e-02 5.18 -6.222823399e-02 -6.222823399e-02 5.20 -5.927644210e-02 -5.927644210e-02 5.22 -5.650626814e-02 -5.650626814e-02 5.24 -5.390478061e-02 -5.390478061e-02 5.26 -5.145963529e-02 -5.145963529e-02 5.28 -4.915929028e-02 -4.915929028e-02 5.30 -4.699310155e-02 -4.699310155e-02 5.32 -4.495123154e-02 -4.495123154e-02 5.34 -4.302485465e-02 -4.302485465e-02 5.36 -4.120596375e-02 -4.120596375e-02 5.38 -3.948719813e-02 -3.948719813e-02 5.40 -3.786173773e-02 -3.786173773e-02 5.42 -3.632320640e-02 -3.632320640e-02 5.44 -3.486559151e-02 -3.486559151e-02 5.46 -3.348318308e-02 -3.348318308e-02 5.48 -3.217053202e-02 -3.217053202e-02 5.50 -3.092242542e-02 -3.092242542e-02 5.52 -2.973387500e-02 -2.973387500e-02 5.54 -2.860011482e-02 -2.860011482e-02 5.56 -2.751660458e-02 -2.751660458e-02 5.58 -2.647903530e-02 -2.647903530e-02 5.60 -2.548333528e-02 -2.548333528e-02 5.62 -2.452567470e-02 -2.452567470e-02 5.64 -2.360246830e-02 -2.360246830e-02 5.66 -2.271037609e-02 -2.271037609e-02 5.68 -2.184630245e-02 -2.184630245e-02 5.70 -2.100739404e-02 -2.100739404e-02 5.72 -2.019103737e-02 -2.019103737e-02 5.74 -1.939485668e-02 -1.939485668e-02 5.76 -1.861671275e-02 -1.861671275e-02 5.78 -1.785470307e-02 -1.785470307e-02 5.80 -1.710716374e-02 -1.710716374e-02 5.82 -1.637267296e-02 -1.637267296e-02 5.84 -1.565005607e-02 -1.565005607e-02 5.86 -1.493839151e-02 -1.493839151e-02 5.88 -1.423701705e-02 -1.423701705e-02 5.90 -1.354553524e-02 -1.354553524e-02 5.92 -1.286381688e-02 -1.286381688e-02 5.94 -1.219199054e-02 -1.219199054e-02 5.96 -1.153039959e-02 -1.153039959e-02 5.98 -1.087970535e-02 -1.087970535e-02 6.00 -1.024081609e-02 -1.024081609e-02