# 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 = AgPt2Zr # 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 4.246731356e+02 4.246731356e+02 1.30 3.969596802e+02 3.969596802e+02 1.32 3.710945854e+02 3.710945854e+02 1.34 3.469384884e+02 3.469384884e+02 1.36 3.243648520e+02 3.243648520e+02 1.38 3.032580560e+02 3.032580560e+02 1.40 2.835125575e+02 2.835125575e+02 1.42 2.650339302e+02 2.650339302e+02 1.44 2.477374595e+02 2.477374595e+02 1.46 2.315441590e+02 2.315441590e+02 1.48 2.163786890e+02 2.163786890e+02 1.50 2.021701623e+02 2.021701623e+02 1.52 1.888527515e+02 1.888527515e+02 1.54 1.763644486e+02 1.763644486e+02 1.56 1.646455917e+02 1.646455917e+02 1.58 1.536379684e+02 1.536379684e+02 1.60 1.432851368e+02 1.432851368e+02 1.62 1.335336434e+02 1.335336434e+02 1.64 1.243349519e+02 1.243349519e+02 1.66 1.156471148e+02 1.156471148e+02 1.68 1.074356969e+02 1.074356969e+02 1.70 9.967327374e+01 9.967327374e+01 1.72 9.233752655e+01 9.233752655e+01 1.74 8.540834734e+01 8.540834734e+01 1.76 7.886506933e+01 7.886506933e+01 1.78 7.268502591e+01 7.268502591e+01 1.80 6.684414510e+01 6.684414510e+01 1.82 6.131885402e+01 6.131885402e+01 1.84 5.608880135e+01 5.608880135e+01 1.86 5.113757941e+01 5.113757941e+01 1.88 4.646323111e+01 4.646323111e+01 1.90 4.213864040e+01 4.213864040e+01 1.92 3.815948892e+01 3.815948892e+01 1.94 3.450025546e+01 3.450025546e+01 1.96 3.113509025e+01 3.113509025e+01 1.98 2.803886861e+01 2.803886861e+01 2.00 2.518826455e+01 2.518826455e+01 2.02 2.256230543e+01 2.256230543e+01 2.04 2.014240992e+01 2.014240992e+01 2.06 1.791214992e+01 1.791214992e+01 2.08 1.585693156e+01 1.585693156e+01 2.10 1.396369059e+01 1.396369059e+01 2.12 1.222053136e+01 1.222053136e+01 2.14 1.061642233e+01 1.061642233e+01 2.16 9.140957595e+00 9.140957595e+00 2.18 7.784264483e+00 7.784264483e+00 2.20 6.537050631e+00 6.537050631e+00 2.22 5.390694185e+00 5.390694185e+00 2.24 4.337321144e+00 4.337321144e+00 2.26 3.369832691e+00 3.369832691e+00 2.28 2.481877043e+00 2.481877043e+00 2.30 1.667799986e+00 1.667799986e+00 2.32 9.225660551e-01 9.225660551e-01 2.34 2.416475524e-01 2.416475524e-01 2.36 -3.790631473e-01 -3.790631473e-01 2.38 -9.433553386e-01 -9.433553386e-01 2.40 -1.454790225e+00 -1.454790225e+00 2.42 -1.916784885e+00 -1.916784885e+00 2.44 -2.332675091e+00 -2.332675091e+00 2.46 -2.705766015e+00 -2.705766015e+00 2.48 -3.039353780e+00 -3.039353780e+00 2.50 -3.336721471e+00 -3.336721471e+00 2.52 -3.601109901e+00 -3.601109901e+00 2.54 -3.835665417e+00 -3.835665417e+00 2.56 -4.043369863e+00 -4.043369863e+00 2.58 -4.226965017e+00 -4.226965017e+00 2.60 -4.388890513e+00 -4.388890513e+00 2.62 -4.531256119e+00 -4.531256119e+00 2.64 -4.655903714e+00 -4.655903714e+00 2.66 -4.764281851e+00 -4.764281851e+00 2.68 -4.857587628e+00 -4.857587628e+00 2.70 -4.937207010e+00 -4.937207010e+00 2.72 -5.005910812e+00 -5.005910812e+00 2.74 -5.064290302e+00 -5.064290302e+00 2.76 -5.112584577e+00 -5.112584577e+00 2.78 -5.151056659e+00 -5.151056659e+00 2.80 -5.179986651e+00 -5.179986651e+00 2.82 -5.199591556e+00 -5.199591556e+00 2.84 -5.210087050e+00 -5.210087050e+00 2.86 -5.211736130e+00 -5.211736130e+00 2.88 -5.204854991e+00 -5.204854991e+00 2.90 -5.189822609e+00 -5.189822609e+00 2.92 -5.167091299e+00 -5.167091299e+00 2.94 -5.137193594e+00 -5.137193594e+00 2.96 -5.100740506e+00 -5.100740506e+00 2.98 -5.058407506e+00 -5.058407506e+00 3.00 -5.010907687e+00 -5.010907687e+00 3.02 -4.958955654e+00 -4.958955654e+00 3.04 -4.903227481e+00 -4.903227481e+00 3.06 -4.844334796e+00 -4.844334796e+00 3.08 -4.782792489e+00 -4.782792489e+00 3.10 -4.719019261e+00 -4.719019261e+00 3.12 -4.653337672e+00 -4.653337672e+00 3.14 -4.585999078e+00 -4.585999078e+00 3.16 -4.517182812e+00 -4.517182812e+00 3.18 -4.447027543e+00 -4.447027543e+00 3.20 -4.375644618e+00 -4.375644618e+00 3.22 -4.303137706e+00 -4.303137706e+00 3.24 -4.229674010e+00 -4.229674010e+00 3.26 -4.155332901e+00 -4.155332901e+00 3.28 -4.080181982e+00 -4.080181982e+00 3.30 -4.004317442e+00 -4.004317442e+00 3.32 -3.927859747e+00 -3.927859747e+00 3.34 -3.850945745e+00 -3.850945745e+00 3.36 -3.773718844e+00 -3.773718844e+00 3.38 -3.696319513e+00 -3.696319513e+00 3.40 -3.618877234e+00 -3.618877234e+00 3.42 -3.541510199e+00 -3.541510199e+00 3.44 -3.464320578e+00 -3.464320578e+00 3.46 -3.387401110e+00 -3.387401110e+00 3.48 -3.310833042e+00 -3.310833042e+00 3.50 -3.234688141e+00 -3.234688141e+00 3.52 -3.159030382e+00 -3.159030382e+00 3.54 -3.083916750e+00 -3.083916750e+00 3.56 -3.009397287e+00 -3.009397287e+00 3.58 -2.935514633e+00 -2.935514633e+00 3.60 -2.862303338e+00 -2.862303338e+00 3.62 -2.789790178e+00 -2.789790178e+00 3.64 -2.718032473e+00 -2.718032473e+00 3.66 -2.647123506e+00 -2.647123506e+00 3.68 -2.577135903e+00 -2.577135903e+00 3.70 -2.508120583e+00 -2.508120583e+00 3.72 -2.440110287e+00 -2.440110287e+00 3.74 -2.373123419e+00 -2.373123419e+00 3.76 -2.307168098e+00 -2.307168098e+00 3.78 -2.242246266e+00 -2.242246266e+00 3.80 -2.178357563e+00 -2.178357563e+00 3.82 -2.115502618e+00 -2.115502618e+00 3.84 -2.053685399e+00 -2.053685399e+00 3.86 -1.992914336e+00 -1.992914336e+00 3.88 -1.933202124e+00 -1.933202124e+00 3.90 -1.874564348e+00 -1.874564348e+00 3.92 -1.817016223e+00 -1.817016223e+00 3.94 -1.760575115e+00 -1.760575115e+00 3.96 -1.705251131e+00 -1.705251131e+00 3.98 -1.651051579e+00 -1.651051579e+00 4.00 -1.597979814e+00 -1.597979814e+00 4.02 -1.546036584e+00 -1.546036584e+00 4.04 -1.495222172e+00 -1.495222172e+00 4.06 -1.445538882e+00 -1.445538882e+00 4.08 -1.396993406e+00 -1.396993406e+00 4.10 -1.349595212e+00 -1.349595212e+00 4.12 -1.303371952e+00 -1.303371952e+00 4.14 -1.258346350e+00 -1.258346350e+00 4.16 -1.214551121e+00 -1.214551121e+00 4.18 -1.172022183e+00 -1.172022183e+00 4.20 -1.130795390e+00 -1.130795390e+00 4.22 -1.090902813e+00 -1.090902813e+00 4.24 -1.052369039e+00 -1.052369039e+00 4.26 -1.015207949e+00 -1.015207949e+00 4.28 -9.794203615e-01 -9.794203615e-01 4.30 -9.449927473e-01 -9.449927473e-01 4.32 -9.118970518e-01 -9.118970518e-01 4.34 -8.800914881e-01 -8.800914881e-01 4.36 -8.495220546e-01 -8.495220546e-01 4.38 -8.201244923e-01 -8.201244923e-01 4.40 -7.918264143e-01 -7.918264143e-01 4.42 -7.645494053e-01 -7.645494053e-01 4.44 -7.382109591e-01 -7.382109591e-01 4.46 -7.127261966e-01 -7.127261966e-01 4.48 -6.880093561e-01 -6.880093561e-01 4.50 -6.639750875e-01 -6.639750875e-01 4.52 -6.405395965e-01 -6.405395965e-01 4.54 -6.176217005e-01 -6.176217005e-01 4.56 -5.951438542e-01 -5.951438542e-01 4.58 -5.730332057e-01 -5.730332057e-01 4.60 -5.512227298e-01 -5.512227298e-01 4.62 -5.296524780e-01 -5.296524780e-01 4.64 -5.082709556e-01 -5.082709556e-01 4.66 -4.870366156e-01 -4.870366156e-01 4.68 -4.659194168e-01 -4.659194168e-01 4.70 -4.449023557e-01 -4.449023557e-01 4.72 -4.239828408e-01 -4.239828408e-01 4.74 -4.031737401e-01 -4.031737401e-01 4.76 -3.825039142e-01 -3.825039142e-01 4.78 -3.620180465e-01 -3.620180465e-01 4.80 -3.417725640e-01 -3.417725640e-01 4.82 -3.218463851e-01 -3.218463851e-01 4.84 -3.023180682e-01 -3.023180682e-01 4.86 -2.832760192e-01 -2.832760192e-01 4.88 -2.648105121e-01 -2.648105121e-01 4.90 -2.470091333e-01 -2.470091333e-01 4.92 -2.299523609e-01 -2.299523609e-01 4.94 -2.137096583e-01 -2.137096583e-01 4.96 -1.983363984e-01 -1.983363984e-01 4.98 -1.838718336e-01 -1.838718336e-01 5.00 -1.703381936e-01 -1.703381936e-01 5.02 -1.577408678e-01 -1.577408678e-01 5.04 -1.460695223e-01 -1.460695223e-01 5.06 -1.352999302e-01 -1.352999302e-01 5.08 -1.253962680e-01 -1.253962680e-01 5.10 -1.163136314e-01 -1.163136314e-01 5.12 -1.080005644e-01 -1.080005644e-01 5.14 -1.004014370e-01 -1.004014370e-01 5.16 -9.345856406e-02 -9.345856406e-02 5.18 -8.711400522e-02 -8.711400522e-02 5.20 -8.131102434e-02 -8.131102434e-02 5.22 -7.599522418e-02 -7.599522418e-02 5.24 -7.111538239e-02 -7.111538239e-02 5.26 -6.662397001e-02 -6.662397001e-02 5.28 -6.247743864e-02 -6.247743864e-02 5.30 -5.863693441e-02 -5.863693441e-02 5.32 -5.506792559e-02 -5.506792559e-02 5.34 -5.174014390e-02 -5.174014390e-02 5.36 -4.862748529e-02 -4.862748529e-02 5.38 -4.570782600e-02 -4.570782600e-02 5.40 -4.296276664e-02 -4.296276664e-02 5.42 -4.037731250e-02 -4.037731250e-02 5.44 -3.793949686e-02 -3.793949686e-02 5.46 -3.563995576e-02 -3.563995576e-02 5.48 -3.347146649e-02 -3.347146649e-02 5.50 -3.142846666e-02 -3.142846666e-02 5.52 -2.950657500e-02 -2.950657500e-02 5.54 -2.770214010e-02 -2.770214010e-02 5.56 -2.601183865e-02 -2.601183865e-02 5.58 -2.443234378e-02 -2.443234378e-02 5.60 -2.296006966e-02 -2.296006966e-02 5.62 -2.159083683e-02 -2.159083683e-02 5.64 -2.032020957e-02 -2.032020957e-02 5.66 -1.914334502e-02 -1.914334502e-02 5.68 -1.805492267e-02 -1.805492267e-02 5.70 -1.704925489e-02 -1.704925489e-02 5.72 -1.612041725e-02 -1.612041725e-02 5.74 -1.526238292e-02 -1.526238292e-02 5.76 -1.446914870e-02 -1.446914870e-02 5.78 -1.373484465e-02 -1.373484465e-02 5.80 -1.305382291e-02 -1.305382291e-02 5.82 -1.242072427e-02 -1.242072427e-02 5.84 -1.183052366e-02 -1.183052366e-02 5.86 -1.127855680e-02 -1.127855680e-02 5.88 -1.076053138e-02 -1.076053138e-02 5.90 -1.027252609e-02 -1.027252609e-02 5.92 -9.810981006e-03 -9.810981006e-03 5.94 -9.372682193e-03 -9.372682193e-03 5.96 -8.954743165e-03 -8.954743165e-03 5.98 -8.554585216e-03 -8.554585216e-03 6.00 -8.169918218e-03 -8.169918218e-03