# 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 = AgMo2Pd # 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 3.228646458e+02 3.228646458e+02 1.30 2.992475367e+02 2.992475367e+02 1.32 2.773719616e+02 2.773719616e+02 1.34 2.570955471e+02 2.570955471e+02 1.36 2.382903665e+02 2.382903665e+02 1.38 2.208406566e+02 2.208406566e+02 1.40 2.046411222e+02 2.046411222e+02 1.42 1.895956225e+02 1.895956225e+02 1.44 1.756162434e+02 1.756162434e+02 1.46 1.626225623e+02 1.626225623e+02 1.48 1.505408998e+02 1.505408998e+02 1.50 1.393036528e+02 1.393036528e+02 1.52 1.288488473e+02 1.288488473e+02 1.54 1.191197942e+02 1.191197942e+02 1.56 1.100646179e+02 1.100646179e+02 1.58 1.016355957e+02 1.016355957e+02 1.60 9.378844127e+01 9.378844127e+01 1.62 8.648171720e+01 8.648171720e+01 1.64 7.967647119e+01 7.967647119e+01 1.66 7.333608282e+01 7.333608282e+01 1.68 6.742627271e+01 6.742627271e+01 1.70 6.191522742e+01 6.191522742e+01 1.72 5.677377476e+01 5.677377476e+01 1.74 5.197628203e+01 5.197628203e+01 1.76 4.750357697e+01 4.750357697e+01 1.78 4.333932742e+01 4.333932742e+01 1.80 3.948146557e+01 3.948146557e+01 1.82 3.591248506e+01 3.591248506e+01 1.84 3.261359492e+01 3.261359492e+01 1.86 2.956671195e+01 2.956671195e+01 1.88 2.675437830e+01 2.675437830e+01 1.90 2.415984437e+01 2.415984437e+01 1.92 2.176720634e+01 2.176720634e+01 1.94 1.956150713e+01 1.956150713e+01 1.96 1.752876229e+01 1.752876229e+01 1.98 1.565592029e+01 1.565592029e+01 2.00 1.393079029e+01 1.393079029e+01 2.02 1.234196574e+01 1.234196574e+01 2.04 1.087875346e+01 1.087875346e+01 2.06 9.531108406e+00 9.531108406e+00 2.08 8.289580620e+00 8.289580620e+00 2.10 7.145290607e+00 7.145290607e+00 2.12 6.089945797e+00 6.089945797e+00 2.14 5.115893234e+00 5.115893234e+00 2.16 4.216184698e+00 4.216184698e+00 2.18 3.384623171e+00 3.384623171e+00 2.20 2.615767281e+00 2.615767281e+00 2.22 1.904886800e+00 1.904886800e+00 2.24 1.247878204e+00 1.247878204e+00 2.26 6.411582613e-01 6.411582613e-01 2.28 8.155436461e-02 8.155436461e-02 2.30 -4.337944903e-01 -4.337944903e-01 2.32 -9.075188071e-01 -9.075188071e-01 2.34 -1.342079911e+00 -1.342079911e+00 2.36 -1.739812842e+00 -1.739812842e+00 2.38 -2.102953548e+00 -2.102953548e+00 2.40 -2.433653706e+00 -2.433653706e+00 2.42 -2.733986787e+00 -2.733986787e+00 2.44 -3.005948544e+00 -3.005948544e+00 2.46 -3.251453710e+00 -3.251453710e+00 2.48 -3.472241067e+00 -3.472241067e+00 2.50 -3.669833254e+00 -3.669833254e+00 2.52 -3.846103893e+00 -3.846103893e+00 2.54 -4.002786223e+00 -4.002786223e+00 2.56 -4.141422311e+00 -4.141422311e+00 2.58 -4.263369200e+00 -4.263369200e+00 2.60 -4.369815969e+00 -4.369815969e+00 2.62 -4.461807849e+00 -4.461807849e+00 2.64 -4.540193612e+00 -4.540193612e+00 2.66 -4.605343226e+00 -4.605343226e+00 2.68 -4.657517353e+00 -4.657517353e+00 2.70 -4.697016462e+00 -4.697016462e+00 2.72 -4.724176352e+00 -4.724176352e+00 2.74 -4.739364952e+00 -4.739364952e+00 2.76 -4.742980632e+00 -4.742980632e+00 2.78 -4.735452013e+00 -4.735452013e+00 2.80 -4.717390988e+00 -4.717390988e+00 2.82 -4.689484246e+00 -4.689484246e+00 2.84 -4.652124964e+00 -4.652124964e+00 2.86 -4.605775001e+00 -4.605775001e+00 2.88 -4.550978456e+00 -4.550978456e+00 2.90 -4.488366187e+00 -4.488366187e+00 2.92 -4.418655844e+00 -4.418655844e+00 2.94 -4.342644493e+00 -4.342644493e+00 2.96 -4.261195087e+00 -4.261195087e+00 2.98 -4.175241417e+00 -4.175241417e+00 3.00 -4.085737850e+00 -4.085737850e+00 3.02 -3.993661658e+00 -3.993661658e+00 3.04 -3.899881097e+00 -3.899881097e+00 3.06 -3.805017362e+00 -3.805017362e+00 3.08 -3.709580364e+00 -3.709580364e+00 3.10 -3.613956880e+00 -3.613956880e+00 3.12 -3.518407217e+00 -3.518407217e+00 3.14 -3.423071510e+00 -3.423071510e+00 3.16 -3.327984476e+00 -3.327984476e+00 3.18 -3.233104334e+00 -3.233104334e+00 3.20 -3.138333998e+00 -3.138333998e+00 3.22 -3.043537020e+00 -3.043537020e+00 3.24 -2.948561947e+00 -2.948561947e+00 3.26 -2.853265574e+00 -2.853265574e+00 3.28 -2.757534117e+00 -2.757534117e+00 3.30 -2.661301804e+00 -2.661301804e+00 3.32 -2.564566364e+00 -2.564566364e+00 3.34 -2.467400797e+00 -2.467400797e+00 3.36 -2.369960671e+00 -2.369960671e+00 3.38 -2.272486143e+00 -2.272486143e+00 3.40 -2.175298055e+00 -2.175298055e+00 3.42 -2.078787823e+00 -2.078787823e+00 3.44 -1.983401411e+00 -1.983401411e+00 3.46 -1.889618398e+00 -1.889618398e+00 3.48 -1.797927821e+00 -1.797927821e+00 3.50 -1.708802985e+00 -1.708802985e+00 3.52 -1.622677634e+00 -1.622677634e+00 3.54 -1.539925699e+00 -1.539925699e+00 3.56 -1.460846295e+00 -1.460846295e+00 3.58 -1.385654918e+00 -1.385654918e+00 3.60 -1.314480943e+00 -1.314480943e+00 3.62 -1.247370804e+00 -1.247370804e+00 3.64 -1.184295697e+00 -1.184295697e+00 3.66 -1.125162400e+00 -1.125162400e+00 3.68 -1.069825738e+00 -1.069825738e+00 3.70 -1.018101441e+00 -1.018101441e+00 3.72 -9.697783519e-01 -9.697783519e-01 3.74 -9.246293336e-01 -9.246293336e-01 3.76 -8.824204684e-01 -8.824204684e-01 3.78 -8.429184278e-01 -8.429184278e-01 3.80 -8.058960709e-01 -8.058960709e-01 3.82 -7.711364487e-01 -7.711364487e-01 3.84 -7.384354629e-01 -7.384354629e-01 3.86 -7.076034479e-01 -7.076034479e-01 3.88 -6.784659370e-01 -6.784659370e-01 3.90 -6.508638481e-01 -6.508638481e-01 3.92 -6.246532853e-01 -6.246532853e-01 3.94 -5.997051116e-01 -5.997051116e-01 3.96 -5.759043970e-01 -5.759043970e-01 3.98 -5.531498183e-01 -5.531498183e-01 4.00 -5.313530327e-01 -5.313530327e-01 4.02 -5.104380189e-01 -5.104380189e-01 4.04 -4.903403556e-01 -4.903403556e-01 4.06 -4.710063862e-01 -4.710063862e-01 4.08 -4.523922215e-01 -4.523922215e-01 4.10 -4.344625468e-01 -4.344625468e-01 4.12 -4.171892418e-01 -4.171892418e-01 4.14 -4.005498326e-01 -4.005498326e-01 4.16 -3.845258935e-01 -3.845258935e-01 4.18 -3.691014893e-01 -3.691014893e-01 4.20 -3.542617908e-01 -3.542617908e-01 4.22 -3.399919628e-01 -3.399919628e-01 4.24 -3.262763838e-01 -3.262763838e-01 4.26 -3.130981979e-01 -3.130981979e-01 4.28 -3.004391478e-01 -3.004391478e-01 4.30 -2.882796077e-01 -2.882796077e-01 4.32 -2.765987188e-01 -2.765987188e-01 4.34 -2.653744755e-01 -2.653744755e-01 4.36 -2.545837583e-01 -2.545837583e-01 4.38 -2.442031124e-01 -2.442031124e-01 4.40 -2.342082337e-01 -2.342082337e-01 4.42 -2.245740275e-01 -2.245740275e-01 4.44 -2.152747840e-01 -2.152747840e-01 4.46 -2.062844098e-01 -2.062844098e-01 4.48 -1.975766482e-01 -1.975766482e-01 4.50 -1.891256892e-01 -1.891256892e-01 4.52 -1.809065811e-01 -1.809065811e-01 4.54 -1.728956721e-01 -1.728956721e-01 4.56 -1.650711768e-01 -1.650711768e-01 4.58 -1.574137408e-01 -1.574137408e-01 4.60 -1.499069723e-01 -1.499069723e-01 4.62 -1.425379130e-01 -1.425379130e-01 4.64 -1.352974134e-01 -1.352974134e-01 4.66 -1.281803811e-01 -1.281803811e-01 4.68 -1.211858702e-01 -1.211858702e-01 4.70 -1.143169825e-01 -1.143169825e-01 4.72 -1.075805670e-01 -1.075805670e-01 4.74 -1.009867151e-01 -1.009867151e-01 4.76 -9.454807553e-02 -9.454807553e-02 4.78 -8.827903227e-02 -8.827903227e-02 4.80 -8.219481098e-02 -8.219481098e-02 4.82 -7.631059431e-02 -7.631059431e-02 4.84 -7.064071348e-02 -7.064071348e-02 4.86 -6.519799725e-02 -6.519799725e-02 4.88 -5.999330881e-02 -5.999330881e-02 4.90 -5.503528868e-02 -5.503528868e-02 4.92 -5.033028517e-02 -5.033028517e-02 4.94 -4.588243133e-02 -4.588243133e-02 4.96 -4.169382237e-02 -4.169382237e-02 4.98 -3.776471647e-02 -3.776471647e-02 5.00 -3.409372927e-02 -3.409372927e-02 5.02 -3.067798930e-02 -3.067798930e-02 5.04 -2.751322903e-02 -2.751322903e-02 5.06 -2.459385258e-02 -2.459385258e-02 5.08 -2.191297015e-02 -2.191297015e-02 5.10 -1.946242822e-02 -1.946242822e-02 5.12 -1.723285852e-02 -1.723285852e-02 5.14 -1.521343312e-02 -1.521343312e-02 5.16 -1.339273025e-02 -1.339273025e-02 5.18 -1.175875326e-02 -1.175875326e-02 5.20 -1.029883089e-02 -1.029883089e-02 5.22 -8.999891991e-03 -8.999891991e-03 5.24 -7.848735383e-03 -7.848735383e-03 5.26 -6.832280269e-03 -6.832280269e-03 5.28 -5.937785835e-03 -5.937785835e-03 5.30 -5.153032706e-03 -5.153032706e-03 5.32 -4.466463013e-03 -4.466463013e-03 5.34 -3.867279392e-03 -3.867279392e-03 5.36 -3.345505923e-03 -3.345505923e-03 5.38 -2.892015813e-03 -2.892015813e-03 5.40 -2.498531494e-03 -2.498531494e-03 5.42 -2.157603078e-03 -2.157603078e-03 5.44 -1.862570763e-03 -1.862570763e-03 5.46 -1.607516213e-03 -1.607516213e-03 5.48 -1.387207170e-03 -1.387207170e-03 5.50 -1.197038716e-03 -1.197038716e-03 5.52 -1.032973873e-03 -1.032973873e-03 5.54 -8.914854845e-04 -8.914854845e-04 5.56 -7.695007663e-04 -7.695007663e-04 5.58 -6.643494158e-04 -6.643494158e-04 5.60 -5.737157933e-04 -5.737157933e-04 5.62 -4.955953986e-04 -4.955953986e-04 5.64 -4.282556600e-04 -4.282556600e-04 5.66 -3.702009023e-04 -3.702009023e-04 5.68 -3.201412691e-04 -3.201412691e-04 5.70 -2.769653109e-04 -2.769653109e-04 5.72 -2.397159288e-04 -2.397159288e-04 5.74 -2.075693460e-04 -2.075693460e-04 5.76 -1.798167922e-04 -1.798167922e-04 5.78 -1.558485967e-04 -1.558485967e-04 5.80 -1.351404063e-04 -1.351404063e-04 5.82 -1.172412694e-04 -1.172412694e-04 5.84 -1.017633513e-04 -1.017633513e-04 5.86 -8.837306763e-05 -8.837306763e-05 5.88 -7.678345242e-05 -7.678345242e-05 5.90 -6.674759185e-05 -6.674759185e-05 5.92 -5.805298095e-05 -5.805298095e-05 5.94 -5.051667538e-05 -5.051667538e-05 5.96 -4.398112831e-05 -4.398112831e-05 5.98 -3.831061659e-05 -3.831061659e-05 6.00 -3.338817340e-05 -3.338817340e-05