# 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 = Mg2NiTi # 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 2.984803557e+02 2.984803557e+02 1.30 2.761911986e+02 2.761911986e+02 1.32 2.555991429e+02 2.555991429e+02 1.34 2.365633870e+02 2.365633870e+02 1.36 2.189569859e+02 2.189569859e+02 1.38 2.026664471e+02 2.026664471e+02 1.40 1.875894591e+02 1.875894591e+02 1.42 1.736324224e+02 1.736324224e+02 1.44 1.607090597e+02 1.607090597e+02 1.46 1.487398707e+02 1.487398707e+02 1.48 1.376516204e+02 1.376516204e+02 1.50 1.273766665e+02 1.273766665e+02 1.52 1.178524740e+02 1.178524740e+02 1.54 1.090214524e+02 1.090214524e+02 1.56 1.008308903e+02 1.008308903e+02 1.58 9.323269921e+01 9.323269921e+01 1.60 8.618294230e+01 8.618294230e+01 1.62 7.964135041e+01 7.964135041e+01 1.64 7.357105824e+01 7.357105824e+01 1.66 6.793810367e+01 6.793810367e+01 1.68 6.271074356e+01 6.271074356e+01 1.70 5.785906362e+01 5.785906362e+01 1.72 5.335547721e+01 5.335547721e+01 1.74 4.917442273e+01 4.917442273e+01 1.76 4.529231016e+01 4.529231016e+01 1.78 4.168743975e+01 4.168743975e+01 1.80 3.833986803e+01 3.833986803e+01 1.82 3.523128501e+01 3.523128501e+01 1.84 3.234488653e+01 3.234488653e+01 1.86 2.966522578e+01 2.966522578e+01 1.88 2.717802193e+01 2.717802193e+01 1.90 2.486996436e+01 2.486996436e+01 1.92 2.272855221e+01 2.272855221e+01 1.94 2.074200758e+01 2.074200758e+01 1.96 1.889927085e+01 1.889927085e+01 1.98 1.719004955e+01 1.719004955e+01 2.00 1.560485109e+01 1.560485109e+01 2.02 1.413495113e+01 1.413495113e+01 2.04 1.277231025e+01 1.277231025e+01 2.06 1.150948358e+01 1.150948358e+01 2.08 1.033955710e+01 1.033955710e+01 2.10 9.256116282e+00 9.256116282e+00 2.12 8.253226420e+00 8.253226420e+00 2.14 7.325405184e+00 7.325405184e+00 2.16 6.467581259e+00 6.467581259e+00 2.18 5.675038428e+00 5.675038428e+00 2.20 4.943356398e+00 4.943356398e+00 2.22 4.268353579e+00 4.268353579e+00 2.24 3.646046474e+00 3.646046474e+00 2.26 3.072630734e+00 3.072630734e+00 2.28 2.544480204e+00 2.544480204e+00 2.30 2.058162323e+00 2.058162323e+00 2.32 1.610450052e+00 1.610450052e+00 2.34 1.198341494e+00 1.198341494e+00 2.36 8.190738302e-01 8.190738302e-01 2.38 4.701358233e-01 4.701358233e-01 2.40 1.492678827e-01 1.492678827e-01 2.42 -1.455588994e-01 -1.455588994e-01 2.44 -4.162243755e-01 -4.162243755e-01 2.46 -6.643505218e-01 -6.643505218e-01 2.48 -8.914070142e-01 -8.914070142e-01 2.50 -1.098774780e+00 -1.098774780e+00 2.52 -1.287760710e+00 -1.287760710e+00 2.54 -1.459602583e+00 -1.459602583e+00 2.56 -1.615468618e+00 -1.615468618e+00 2.58 -1.756443912e+00 -1.756443912e+00 2.60 -1.883449271e+00 -1.883449271e+00 2.62 -1.997320954e+00 -1.997320954e+00 2.64 -2.098805430e+00 -2.098805430e+00 2.66 -2.188538662e+00 -2.188538662e+00 2.68 -2.267162145e+00 -2.267162145e+00 2.70 -2.335330803e+00 -2.335330803e+00 2.72 -2.393709547e+00 -2.393709547e+00 2.74 -2.442967430e+00 -2.442967430e+00 2.76 -2.483768750e+00 -2.483768750e+00 2.78 -2.516761538e+00 -2.516761538e+00 2.80 -2.542567128e+00 -2.542567128e+00 2.82 -2.561769201e+00 -2.561769201e+00 2.84 -2.574910265e+00 -2.574910265e+00 2.86 -2.582491285e+00 -2.582491285e+00 2.88 -2.584975321e+00 -2.584975321e+00 2.90 -2.582792848e+00 -2.582792848e+00 2.92 -2.576346952e+00 -2.576346952e+00 2.94 -2.566017421e+00 -2.566017421e+00 2.96 -2.552163648e+00 -2.552163648e+00 2.98 -2.535126677e+00 -2.535126677e+00 3.00 -2.515230544e+00 -2.515230544e+00 3.02 -2.492782626e+00 -2.492782626e+00 3.04 -2.468072337e+00 -2.468072337e+00 3.06 -2.441370040e+00 -2.441370040e+00 3.08 -2.412922233e+00 -2.412922233e+00 3.10 -2.382950967e+00 -2.382950967e+00 3.12 -2.351652883e+00 -2.351652883e+00 3.14 -2.319203051e+00 -2.319203051e+00 3.16 -2.285755743e+00 -2.285755743e+00 3.18 -2.251450788e+00 -2.251450788e+00 3.20 -2.216417013e+00 -2.216417013e+00 3.22 -2.180775385e+00 -2.180775385e+00 3.24 -2.144642143e+00 -2.144642143e+00 3.26 -2.108160042e+00 -2.108160042e+00 3.28 -2.071422109e+00 -2.071422109e+00 3.30 -2.034498626e+00 -2.034498626e+00 3.32 -1.997459689e+00 -1.997459689e+00 3.34 -1.960372212e+00 -1.960372212e+00 3.36 -1.923297361e+00 -1.923297361e+00 3.38 -1.886288905e+00 -1.886288905e+00 3.40 -1.849392758e+00 -1.849392758e+00 3.42 -1.812646504e+00 -1.812646504e+00 3.44 -1.776052253e+00 -1.776052253e+00 3.46 -1.739588045e+00 -1.739588045e+00 3.48 -1.703242551e+00 -1.703242551e+00 3.50 -1.667016559e+00 -1.667016559e+00 3.52 -1.630922600e+00 -1.630922600e+00 3.54 -1.594983514e+00 -1.594983514e+00 3.56 -1.559229868e+00 -1.559229868e+00 3.58 -1.523696466e+00 -1.523696466e+00 3.60 -1.488418478e+00 -1.488418478e+00 3.62 -1.453427900e+00 -1.453427900e+00 3.64 -1.418751007e+00 -1.418751007e+00 3.66 -1.384407215e+00 -1.384407215e+00 3.68 -1.350409411e+00 -1.350409411e+00 3.70 -1.316765481e+00 -1.316765481e+00 3.72 -1.283480627e+00 -1.283480627e+00 3.74 -1.250559963e+00 -1.250559963e+00 3.76 -1.218011030e+00 -1.218011030e+00 3.78 -1.185845879e+00 -1.185845879e+00 3.80 -1.154082544e+00 -1.154082544e+00 3.82 -1.122745700e+00 -1.122745700e+00 3.84 -1.091866434e+00 -1.091866434e+00 3.86 -1.061481069e+00 -1.061481069e+00 3.88 -1.031629139e+00 -1.031629139e+00 3.90 -1.002350717e+00 -1.002350717e+00 3.92 -9.736832781e-01 -9.736832781e-01 3.94 -9.456596391e-01 -9.456596391e-01 3.96 -9.183044377e-01 -9.183044377e-01 3.98 -8.916335299e-01 -8.916335299e-01 4.00 -8.656532419e-01 -8.656532419e-01 4.02 -8.403607461e-01 -8.403607461e-01 4.04 -8.157451308e-01 -8.157451308e-01 4.06 -7.917888956e-01 -7.917888956e-01 4.08 -7.684696036e-01 -7.684696036e-01 4.10 -7.457608097e-01 -7.457608097e-01 4.12 -7.236362447e-01 -7.236362447e-01 4.14 -7.020665279e-01 -7.020665279e-01 4.16 -6.810231436e-01 -6.810231436e-01 4.18 -6.604782343e-01 -6.604782343e-01 4.20 -6.404050535e-01 -6.404050535e-01 4.22 -6.207783104e-01 -6.207783104e-01 4.24 -6.015744683e-01 -6.015744683e-01 4.26 -5.827720474e-01 -5.827720474e-01 4.28 -5.643519660e-01 -5.643519660e-01 4.30 -5.462979370e-01 -5.462979370e-01 4.32 -5.285969149e-01 -5.285969149e-01 4.34 -5.112395645e-01 -5.112395645e-01 4.36 -4.942207027e-01 -4.942207027e-01 4.38 -4.775396450e-01 -4.775396450e-01 4.40 -4.612003737e-01 -4.612003737e-01 4.42 -4.452114478e-01 -4.452114478e-01 4.44 -4.295855892e-01 -4.295855892e-01 4.46 -4.143389101e-01 -4.143389101e-01 4.48 -3.994897994e-01 -3.994897994e-01 4.50 -3.850575365e-01 -3.850575365e-01 4.52 -3.710607558e-01 -3.710607558e-01 4.54 -3.575159185e-01 -3.575159185e-01 4.56 -3.444359542e-01 -3.444359542e-01 4.58 -3.318292159e-01 -3.318292159e-01 4.60 -3.196988409e-01 -3.196988409e-01 4.62 -3.080425520e-01 -3.080425520e-01 4.64 -2.968528697e-01 -2.968528697e-01 4.66 -2.861176613e-01 -2.861176613e-01 4.68 -2.758209243e-01 -2.758209243e-01 4.70 -2.659436938e-01 -2.659436938e-01 4.72 -2.564649786e-01 -2.564649786e-01 4.74 -2.473626481e-01 -2.473626481e-01 4.76 -2.386142224e-01 -2.386142224e-01 4.78 -2.301975388e-01 -2.301975388e-01 4.80 -2.220908700e-01 -2.220908700e-01 4.82 -2.142750902e-01 -2.142750902e-01 4.84 -2.067312370e-01 -2.067312370e-01 4.86 -1.994426530e-01 -1.994426530e-01 4.88 -1.923946184e-01 -1.923946184e-01 4.90 -1.855744225e-01 -1.855744225e-01 4.92 -1.789713723e-01 -1.789713723e-01 4.94 -1.725767341e-01 -1.725767341e-01 4.96 -1.663836086e-01 -1.663836086e-01 4.98 -1.603867334e-01 -1.603867334e-01 5.00 -1.545822171e-01 -1.545822171e-01 5.02 -1.489672107e-01 -1.489672107e-01 5.04 -1.435395363e-01 -1.435395363e-01 5.06 -1.382972963e-01 -1.382972963e-01 5.08 -1.332384963e-01 -1.332384963e-01 5.10 -1.283607132e-01 -1.283607132e-01 5.12 -1.236608363e-01 -1.236608363e-01 5.14 -1.191349002e-01 -1.191349002e-01 5.16 -1.147780158e-01 -1.147780158e-01 5.18 -1.105843949e-01 -1.105843949e-01 5.20 -1.065474506e-01 -1.065474506e-01 5.22 -1.026599544e-01 -1.026599544e-01 5.24 -9.891422509e-02 -9.891422509e-02 5.26 -9.530232753e-02 -9.530232753e-02 5.28 -9.181626392e-02 -9.181626392e-02 5.30 -8.844814451e-02 -8.844814451e-02 5.32 -8.519032984e-02 -8.519032984e-02 5.34 -8.203554080e-02 -8.203554080e-02 5.36 -7.897693594e-02 -7.897693594e-02 5.38 -7.600815728e-02 -7.600815728e-02 5.40 -7.312334793e-02 -7.312334793e-02 5.42 -7.031714501e-02 -7.031714501e-02 5.44 -6.758465354e-02 -6.758465354e-02 5.46 -6.492140680e-02 -6.492140680e-02 5.48 -6.232332055e-02 -6.232332055e-02 5.50 -5.978664878e-02 -5.978664878e-02 5.52 -5.730794908e-02 -5.730794908e-02 5.54 -5.488406512e-02 -5.488406512e-02 5.56 -5.251213354e-02 -5.251213354e-02 5.58 -5.018961335e-02 -5.018961335e-02 5.60 -4.791433826e-02 -4.791433826e-02 5.62 -4.568459754e-02 -4.568459754e-02 5.64 -4.349922617e-02 -4.349922617e-02 5.66 -4.135769650e-02 -4.135769650e-02 5.68 -3.926019830e-02 -3.926019830e-02 5.70 -3.720769314e-02 -3.720769314e-02 5.72 -3.520193004e-02 -3.520193004e-02 5.74 -3.324541196e-02 -3.324541196e-02 5.76 -3.134127698e-02 -3.134127698e-02 5.78 -2.949285096e-02 -2.949285096e-02 5.80 -2.770362800e-02 -2.770362800e-02 5.82 -2.597806276e-02 -2.597806276e-02 5.84 -2.432043424e-02 -2.432043424e-02 5.86 -2.273456704e-02 -2.273456704e-02 5.88 -2.122360509e-02 -2.122360509e-02 5.90 -1.978982954e-02 -1.978982954e-02 5.92 -1.843453502e-02 -1.843453502e-02 5.94 -1.715797138e-02 -1.715797138e-02 5.96 -1.595935132e-02 -1.595935132e-02 5.98 -1.483691718e-02 -1.483691718e-02 6.00 -1.378805607e-02 -1.378805607e-02