# 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 = Ag2PbTi # 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 3.213345922e+02 3.213345922e+02 1.30 2.988924223e+02 2.988924223e+02 1.32 2.780767944e+02 2.780767944e+02 1.34 2.587569915e+02 2.587569915e+02 1.36 2.408136120e+02 2.408136120e+02 1.38 2.241381137e+02 2.241381137e+02 1.40 2.086320996e+02 2.086320996e+02 1.42 1.942063442e+02 1.942063442e+02 1.44 1.807796695e+02 1.807796695e+02 1.46 1.682779589e+02 1.682779589e+02 1.48 1.566334564e+02 1.566334564e+02 1.50 1.457841886e+02 1.457841886e+02 1.52 1.356732973e+02 1.356732973e+02 1.54 1.262482378e+02 1.262482378e+02 1.56 1.174600408e+02 1.174600408e+02 1.58 1.092628950e+02 1.092628950e+02 1.60 1.016140845e+02 1.016140845e+02 1.62 9.447412286e+01 9.447412286e+01 1.64 8.780685327e+01 8.780685327e+01 1.66 8.157936391e+01 8.157936391e+01 1.68 7.576162939e+01 7.576162939e+01 1.70 7.032599116e+01 7.032599116e+01 1.72 6.524692215e+01 6.524692215e+01 1.74 6.050591634e+01 6.050591634e+01 1.76 5.608402838e+01 5.608402838e+01 1.78 5.195888633e+01 5.195888633e+01 1.80 4.810955192e+01 4.810955192e+01 1.82 4.451679581e+01 4.451679581e+01 1.84 4.116307178e+01 4.116307178e+01 1.86 3.803237948e+01 3.803237948e+01 1.88 3.511005777e+01 3.511005777e+01 1.90 3.238255487e+01 3.238255487e+01 1.92 2.983723858e+01 2.983723858e+01 1.94 2.746227685e+01 2.746227685e+01 1.96 2.524658249e+01 2.524658249e+01 1.98 2.317979738e+01 2.317979738e+01 2.00 2.125226310e+01 2.125226310e+01 2.02 1.945495585e+01 1.945495585e+01 2.04 1.777940131e+01 1.777940131e+01 2.06 1.621760988e+01 1.621760988e+01 2.08 1.476205378e+01 1.476205378e+01 2.10 1.340567799e+01 1.340567799e+01 2.12 1.214191376e+01 1.214191376e+01 2.14 1.096467145e+01 1.096467145e+01 2.16 9.868313282e+00 9.868313282e+00 2.18 8.847616300e+00 8.847616300e+00 2.20 7.897733859e+00 7.897733859e+00 2.22 7.014162422e+00 7.014162422e+00 2.24 6.192707540e+00 6.192707540e+00 2.26 5.429447495e+00 5.429447495e+00 2.28 4.720693256e+00 4.720693256e+00 2.30 4.062959617e+00 4.062959617e+00 2.32 3.452940994e+00 3.452940994e+00 2.34 2.887511040e+00 2.887511040e+00 2.36 2.363723036e+00 2.363723036e+00 2.38 1.878813659e+00 1.878813659e+00 2.40 1.430199988e+00 1.430199988e+00 2.42 1.015470606e+00 1.015470606e+00 2.44 6.323733243e-01 6.323733243e-01 2.46 2.788031795e-01 2.788031795e-01 2.48 -4.720833445e-02 -4.720833445e-02 2.50 -3.475021506e-01 -3.475021506e-01 2.52 -6.237989154e-01 -6.237989154e-01 2.54 -8.777054078e-01 -8.777054078e-01 2.56 -1.110751850e+00 -1.110751850e+00 2.58 -1.324358846e+00 -1.324358846e+00 2.60 -1.519776274e+00 -1.519776274e+00 2.62 -1.698184996e+00 -1.698184996e+00 2.64 -1.860704163e+00 -1.860704163e+00 2.66 -2.008388324e+00 -2.008388324e+00 2.68 -2.142228114e+00 -2.142228114e+00 2.70 -2.263148197e+00 -2.263148197e+00 2.72 -2.371982707e+00 -2.371982707e+00 2.74 -2.469421362e+00 -2.469421362e+00 2.76 -2.556104702e+00 -2.556104702e+00 2.78 -2.632648080e+00 -2.632648080e+00 2.80 -2.699641924e+00 -2.699641924e+00 2.82 -2.757650792e+00 -2.757650792e+00 2.84 -2.807214778e+00 -2.807214778e+00 2.86 -2.848850437e+00 -2.848850437e+00 2.88 -2.883052496e+00 -2.883052496e+00 2.90 -2.910296137e+00 -2.910296137e+00 2.92 -2.931039862e+00 -2.931039862e+00 2.94 -2.945728910e+00 -2.945728910e+00 2.96 -2.954813244e+00 -2.954813244e+00 2.98 -2.958899656e+00 -2.958899656e+00 3.00 -2.958319062e+00 -2.958319062e+00 3.02 -2.953331951e+00 -2.953331951e+00 3.04 -2.944227289e+00 -2.944227289e+00 3.06 -2.931316832e+00 -2.931316832e+00 3.08 -2.914919795e+00 -2.914919795e+00 3.10 -2.895353975e+00 -2.895353975e+00 3.12 -2.872923570e+00 -2.872923570e+00 3.14 -2.847915892e+00 -2.847915892e+00 3.16 -2.820602308e+00 -2.820602308e+00 3.18 -2.791239020e+00 -2.791239020e+00 3.20 -2.760070517e+00 -2.760070517e+00 3.22 -2.727261228e+00 -2.727261228e+00 3.24 -2.692955675e+00 -2.692955675e+00 3.26 -2.657286603e+00 -2.657286603e+00 3.28 -2.620376568e+00 -2.620376568e+00 3.30 -2.582339454e+00 -2.582339454e+00 3.32 -2.543282029e+00 -2.543282029e+00 3.34 -2.503305404e+00 -2.503305404e+00 3.36 -2.462503690e+00 -2.462503690e+00 3.38 -2.420960775e+00 -2.420960775e+00 3.40 -2.378759981e+00 -2.378759981e+00 3.42 -2.335986706e+00 -2.335986706e+00 3.44 -2.292727957e+00 -2.292727957e+00 3.46 -2.249073515e+00 -2.249073515e+00 3.48 -2.205115993e+00 -2.205115993e+00 3.50 -2.160950757e+00 -2.160950757e+00 3.52 -2.116675258e+00 -2.116675258e+00 3.54 -2.072387604e+00 -2.072387604e+00 3.56 -2.028184302e+00 -2.028184302e+00 3.58 -1.984157361e+00 -1.984157361e+00 3.60 -1.940391201e+00 -1.940391201e+00 3.62 -1.896959957e+00 -1.896959957e+00 3.64 -1.853925728e+00 -1.853925728e+00 3.66 -1.811338086e+00 -1.811338086e+00 3.68 -1.769234795e+00 -1.769234795e+00 3.70 -1.727643449e+00 -1.727643449e+00 3.72 -1.686583551e+00 -1.686583551e+00 3.74 -1.646068593e+00 -1.646068593e+00 3.76 -1.606107837e+00 -1.606107837e+00 3.78 -1.566707665e+00 -1.566707665e+00 3.80 -1.527872514e+00 -1.527872514e+00 3.82 -1.489605511e+00 -1.489605511e+00 3.84 -1.451908916e+00 -1.451908916e+00 3.86 -1.414784485e+00 -1.414784485e+00 3.88 -1.378233775e+00 -1.378233775e+00 3.90 -1.342258409e+00 -1.342258409e+00 3.92 -1.306859838e+00 -1.306859838e+00 3.94 -1.272041193e+00 -1.272041193e+00 3.96 -1.237804461e+00 -1.237804461e+00 3.98 -1.204152303e+00 -1.204152303e+00 4.00 -1.171087313e+00 -1.171087313e+00 4.02 -1.138611759e+00 -1.138611759e+00 4.04 -1.106727338e+00 -1.106727338e+00 4.06 -1.075434981e+00 -1.075434981e+00 4.08 -1.044734756e+00 -1.044734756e+00 4.10 -1.014624821e+00 -1.014624821e+00 4.12 -9.851059666e-01 -9.851059666e-01 4.14 -9.561749370e-01 -9.561749370e-01 4.16 -9.278296448e-01 -9.278296448e-01 4.18 -9.000683043e-01 -9.000683043e-01 4.20 -8.728898767e-01 -8.728898767e-01 4.22 -8.462944824e-01 -8.462944824e-01 4.24 -8.202837218e-01 -8.202837218e-01 4.26 -7.948608388e-01 -7.948608388e-01 4.28 -7.700306759e-01 -7.700306759e-01 4.30 -7.457993859e-01 -7.457993859e-01 4.32 -7.221738979e-01 -7.221738979e-01 4.34 -6.991611698e-01 -6.991611698e-01 4.36 -6.767672990e-01 -6.767672990e-01 4.38 -6.549965871e-01 -6.549965871e-01 4.40 -6.338506686e-01 -6.338506686e-01 4.42 -6.133278066e-01 -6.133278066e-01 4.44 -5.934224293e-01 -5.934224293e-01 4.46 -5.741249459e-01 -5.741249459e-01 4.48 -5.554218365e-01 -5.554218365e-01 4.50 -5.372959768e-01 -5.372959768e-01 4.52 -5.197271350e-01 -5.197271350e-01 4.54 -5.026925689e-01 -5.026925689e-01 4.56 -4.861676565e-01 -4.861676565e-01 4.58 -4.701265073e-01 -4.701265073e-01 4.60 -4.545425189e-01 -4.545425189e-01 4.62 -4.393888616e-01 -4.393888616e-01 4.64 -4.246388896e-01 -4.246388896e-01 4.66 -4.102664889e-01 -4.102664889e-01 4.68 -3.962463784e-01 -3.962463784e-01 4.70 -3.825543846e-01 -3.825543846e-01 4.72 -3.691677104e-01 -3.691677104e-01 4.74 -3.560652144e-01 -3.560652144e-01 4.76 -3.432277138e-01 -3.432277138e-01 4.78 -3.306383183e-01 -3.306383183e-01 4.80 -3.182820024e-01 -3.182820024e-01 4.82 -3.061492656e-01 -3.061492656e-01 4.84 -2.942313833e-01 -2.942313833e-01 4.86 -2.825243236e-01 -2.825243236e-01 4.88 -2.710280827e-01 -2.710280827e-01 4.90 -2.597468400e-01 -2.597468400e-01 4.92 -2.486889475e-01 -2.486889475e-01 4.94 -2.378667105e-01 -2.378667105e-01 4.96 -2.272959301e-01 -2.272959301e-01 4.98 -2.169951966e-01 -2.169951966e-01 5.00 -2.069849522e-01 -2.069849522e-01 5.02 -1.972863710e-01 -1.972863710e-01 5.04 -1.879201347e-01 -1.879201347e-01 5.06 -1.789052026e-01 -1.789052026e-01 5.08 -1.702576851e-01 -1.702576851e-01 5.10 -1.619899160e-01 -1.619899160e-01 5.12 -1.541098035e-01 -1.541098035e-01 5.14 -1.466205084e-01 -1.466205084e-01 5.16 -1.395204442e-01 -1.395204442e-01 5.18 -1.328035618e-01 -1.328035618e-01 5.20 -1.264598593e-01 -1.264598593e-01 5.22 -1.204760449e-01 -1.204760449e-01 5.24 -1.148362677e-01 -1.148362677e-01 5.26 -1.095224414e-01 -1.095224414e-01 5.28 -1.045155019e-01 -1.045155019e-01 5.30 -9.979652434e-02 -9.979652434e-02 5.32 -9.534622915e-02 -9.534622915e-02 5.34 -9.114541904e-02 -9.114541904e-02 5.36 -8.717520326e-02 -8.717520326e-02 5.38 -8.341729978e-02 -8.341729978e-02 5.40 -7.985438211e-02 -7.985438211e-02 5.42 -7.646990283e-02 -7.646990283e-02 5.44 -7.324814250e-02 -7.324814250e-02 5.46 -7.017424307e-02 -7.017424307e-02 5.48 -6.723423199e-02 -6.723423199e-02 5.50 -6.441504455e-02 -6.441504455e-02 5.52 -6.170454916e-02 -6.170454916e-02 5.54 -5.909157766e-02 -5.909157766e-02 5.56 -5.656596102e-02 -5.656596102e-02 5.58 -5.411856938e-02 -5.411856938e-02 5.60 -5.174135438e-02 -5.174135438e-02 5.62 -4.942739035e-02 -4.942739035e-02 5.64 -4.717090997e-02 -4.717090997e-02 5.66 -4.496732894e-02 -4.496732894e-02 5.68 -4.281325316e-02 -4.281325316e-02 5.70 -4.070646182e-02 -4.070646182e-02 5.72 -3.864586014e-02 -3.864586014e-02 5.74 -3.663139688e-02 -3.663139688e-02 5.76 -3.466394446e-02 -3.466394446e-02 5.78 -3.274514300e-02 -3.274514300e-02 5.80 -3.087721380e-02 -3.087721380e-02 5.82 -2.906275196e-02 -2.906275196e-02 5.84 -2.730451136e-02 -2.730451136e-02 5.86 -2.560519734e-02 -2.560519734e-02 5.88 -2.396728064e-02 -2.396728064e-02 5.90 -2.239284846e-02 -2.239284846e-02 5.92 -2.088349964e-02 -2.088349964e-02 5.94 -1.944028818e-02 -1.944028818e-02 5.96 -1.806371350e-02 -1.806371350e-02 5.98 -1.675375096e-02 -1.675375096e-02 6.00 -1.550991274e-02 -1.550991274e-02