# 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 = Mg2MoZr # 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 4.319437675e+02 4.319437675e+02 1.30 4.010407851e+02 4.010407851e+02 1.32 3.724200662e+02 3.724200662e+02 1.34 3.458990433e+02 3.458990433e+02 1.36 3.213096334e+02 3.213096334e+02 1.38 2.984972511e+02 2.984972511e+02 1.40 2.773204433e+02 2.773204433e+02 1.42 2.576501756e+02 2.576501756e+02 1.44 2.393688858e+02 2.393688858e+02 1.46 2.223698942e+02 2.223698942e+02 1.48 2.065569992e+02 2.065569992e+02 1.50 1.918435359e+02 1.918435359e+02 1.52 1.781508878e+02 1.781508878e+02 1.54 1.654070362e+02 1.654070362e+02 1.56 1.535456325e+02 1.535456325e+02 1.58 1.425055756e+02 1.425055756e+02 1.60 1.322305756e+02 1.322305756e+02 1.62 1.226684707e+02 1.226684707e+02 1.64 1.137704852e+02 1.137704852e+02 1.66 1.054907222e+02 1.054907222e+02 1.68 9.778594992e+01 9.778594992e+01 1.70 9.061564166e+01 9.061564166e+01 1.72 8.394196947e+01 8.394196947e+01 1.74 7.772969336e+01 7.772969336e+01 1.76 7.194593539e+01 7.194593539e+01 1.78 6.656040746e+01 6.656040746e+01 1.80 6.154514647e+01 6.154514647e+01 1.82 5.687509710e+01 5.687509710e+01 1.84 5.252518232e+01 5.252518232e+01 1.86 4.847186534e+01 4.847186534e+01 1.88 4.469385538e+01 4.469385538e+01 1.90 4.117216457e+01 4.117216457e+01 1.92 3.788974640e+01 3.788974640e+01 1.94 3.483118175e+01 3.483118175e+01 1.96 3.198228206e+01 3.198228206e+01 1.98 2.932980183e+01 2.932980183e+01 2.00 2.686125765e+01 2.686125765e+01 2.02 2.456481225e+01 2.456481225e+01 2.04 2.242919207e+01 2.242919207e+01 2.06 2.044362010e+01 2.044362010e+01 2.08 1.859776554e+01 1.859776554e+01 2.10 1.688173750e+01 1.688173750e+01 2.12 1.528613672e+01 1.528613672e+01 2.14 1.380213783e+01 1.380213783e+01 2.16 1.242158879e+01 1.242158879e+01 2.18 1.113705665e+01 1.113705665e+01 2.20 9.941815262e+00 9.941815262e+00 2.22 8.829763546e+00 8.829763546e+00 2.24 7.795334508e+00 7.795334508e+00 2.26 6.833420671e+00 6.833420671e+00 2.28 5.939311136e+00 5.939311136e+00 2.30 5.108677391e+00 5.108677391e+00 2.32 4.337507296e+00 4.337507296e+00 2.34 3.622097007e+00 3.622097007e+00 2.36 2.958985940e+00 2.958985940e+00 2.38 2.344921024e+00 2.344921024e+00 2.40 1.776821419e+00 1.776821419e+00 2.42 1.251746553e+00 1.251746553e+00 2.44 7.668832756e-01 7.668832756e-01 2.46 3.195359272e-01 3.195359272e-01 2.48 -9.286434440e-02 -9.286434440e-02 2.50 -4.727405443e-01 -4.727405443e-01 2.52 -8.223919751e-01 -8.223919751e-01 2.54 -1.143894839e+00 -1.143894839e+00 2.56 -1.439039870e+00 -1.439039870e+00 2.58 -1.709363536e+00 -1.709363536e+00 2.60 -1.956292067e+00 -1.956292067e+00 2.62 -2.181255916e+00 -2.181255916e+00 2.64 -2.385569356e+00 -2.385569356e+00 2.66 -2.570440833e+00 -2.570440833e+00 2.68 -2.736900579e+00 -2.736900579e+00 2.70 -2.885830093e+00 -2.885830093e+00 2.72 -3.018111106e+00 -3.018111106e+00 2.74 -3.134629501e+00 -3.134629501e+00 2.76 -3.236192993e+00 -3.236192993e+00 2.78 -3.323496760e+00 -3.323496760e+00 2.80 -3.397249988e+00 -3.397249988e+00 2.82 -3.458161489e+00 -3.458161489e+00 2.84 -3.506941763e+00 -3.506941763e+00 2.86 -3.544297813e+00 -3.544297813e+00 2.88 -3.570935099e+00 -3.570935099e+00 2.90 -3.587562102e+00 -3.587562102e+00 2.92 -3.594895298e+00 -3.594895298e+00 2.94 -3.593662411e+00 -3.593662411e+00 2.96 -3.584602197e+00 -3.584602197e+00 2.98 -3.568459789e+00 -3.568459789e+00 3.00 -3.545977559e+00 -3.545977559e+00 3.02 -3.517882479e+00 -3.517882479e+00 3.04 -3.484868679e+00 -3.484868679e+00 3.06 -3.447597035e+00 -3.447597035e+00 3.08 -3.406662798e+00 -3.406662798e+00 3.10 -3.362603912e+00 -3.362603912e+00 3.12 -3.315892213e+00 -3.315892213e+00 3.14 -3.266945354e+00 -3.266945354e+00 3.16 -3.216115711e+00 -3.216115711e+00 3.18 -3.163708783e+00 -3.163708783e+00 3.20 -3.109987846e+00 -3.109987846e+00 3.22 -3.055182204e+00 -3.055182204e+00 3.24 -2.999495597e+00 -2.999495597e+00 3.26 -2.943114293e+00 -2.943114293e+00 3.28 -2.886213993e+00 -2.886213993e+00 3.30 -2.828964504e+00 -2.828964504e+00 3.32 -2.771531511e+00 -2.771531511e+00 3.34 -2.714075589e+00 -2.714075589e+00 3.36 -2.656749565e+00 -2.656749565e+00 3.38 -2.599695705e+00 -2.599695705e+00 3.40 -2.543042744e+00 -2.543042744e+00 3.42 -2.486910958e+00 -2.486910958e+00 3.44 -2.431404824e+00 -2.431404824e+00 3.46 -2.376620389e+00 -2.376620389e+00 3.48 -2.322644715e+00 -2.322644715e+00 3.50 -2.269558412e+00 -2.269558412e+00 3.52 -2.217478225e+00 -2.217478225e+00 3.54 -2.166427021e+00 -2.166427021e+00 3.56 -2.116396988e+00 -2.116396988e+00 3.58 -2.067385965e+00 -2.067385965e+00 3.60 -2.019393384e+00 -2.019393384e+00 3.62 -1.972417112e+00 -1.972417112e+00 3.64 -1.926450865e+00 -1.926450865e+00 3.66 -1.881451847e+00 -1.881451847e+00 3.68 -1.837326030e+00 -1.837326030e+00 3.70 -1.793997312e+00 -1.793997312e+00 3.72 -1.751409644e+00 -1.751409644e+00 3.74 -1.709523045e+00 -1.709523045e+00 3.76 -1.668311206e+00 -1.668311206e+00 3.78 -1.627760221e+00 -1.627760221e+00 3.80 -1.587867921e+00 -1.587867921e+00 3.82 -1.548643263e+00 -1.548643263e+00 3.84 -1.510105248e+00 -1.510105248e+00 3.86 -1.472281016e+00 -1.472281016e+00 3.88 -1.435202963e+00 -1.435202963e+00 3.90 -1.398905058e+00 -1.398905058e+00 3.92 -1.363416834e+00 -1.363416834e+00 3.94 -1.328767921e+00 -1.328767921e+00 3.96 -1.294972073e+00 -1.294972073e+00 3.98 -1.262034884e+00 -1.262034884e+00 4.00 -1.229951214e+00 -1.229951214e+00 4.02 -1.198706324e+00 -1.198706324e+00 4.04 -1.168277856e+00 -1.168277856e+00 4.06 -1.138638198e+00 -1.138638198e+00 4.08 -1.109756810e+00 -1.109756810e+00 4.10 -1.081598090e+00 -1.081598090e+00 4.12 -1.054140318e+00 -1.054140318e+00 4.14 -1.027349339e+00 -1.027349339e+00 4.16 -1.001198448e+00 -1.001198448e+00 4.18 -9.756635639e-01 -9.756635639e-01 4.20 -9.507232438e-01 -9.507232438e-01 4.22 -9.263585383e-01 -9.263585383e-01 4.24 -9.025527399e-01 -9.025527399e-01 4.26 -8.792910869e-01 -8.792910869e-01 4.28 -8.565604561e-01 -8.565604561e-01 4.30 -8.343490696e-01 -8.343490696e-01 4.32 -8.126462258e-01 -8.126462258e-01 4.34 -7.914420643e-01 -7.914420643e-01 4.36 -7.707273624e-01 -7.707273624e-01 4.38 -7.504933653e-01 -7.504933653e-01 4.40 -7.307316444e-01 -7.307316444e-01 4.42 -7.114339814e-01 -7.114339814e-01 4.44 -6.925922755e-01 -6.925922755e-01 4.46 -6.741984682e-01 -6.741984682e-01 4.48 -6.562444851e-01 -6.562444851e-01 4.50 -6.387221916e-01 -6.387221916e-01 4.52 -6.216233617e-01 -6.216233617e-01 4.54 -6.049396575e-01 -6.049396575e-01 4.56 -5.886626205e-01 -5.886626205e-01 4.58 -5.727836739e-01 -5.727836739e-01 4.60 -5.572941342e-01 -5.572941342e-01 4.62 -5.421852340e-01 -5.421852340e-01 4.64 -5.274481533e-01 -5.274481533e-01 4.66 -5.130740584e-01 -5.130740584e-01 4.68 -4.990541474e-01 -4.990541474e-01 4.70 -4.853796984e-01 -4.853796984e-01 4.72 -4.720421179e-01 -4.720421179e-01 4.74 -4.590329863e-01 -4.590329863e-01 4.76 -4.463440960e-01 -4.463440960e-01 4.78 -4.339674811e-01 -4.339674811e-01 4.80 -4.218919590e-01 -4.218919590e-01 4.82 -4.101176256e-01 -4.101176256e-01 4.84 -3.986331179e-01 -3.986331179e-01 4.86 -3.874314911e-01 -3.874314911e-01 4.88 -3.765059945e-01 -3.765059945e-01 4.90 -3.658500317e-01 -3.658500317e-01 4.92 -3.554571155e-01 -3.554571155e-01 4.94 -3.453208214e-01 -3.453208214e-01 4.96 -3.354347422e-01 -3.354347422e-01 4.98 -3.257924468e-01 -3.257924468e-01 5.00 -3.163874444e-01 -3.163874444e-01 5.02 -3.072131565e-01 -3.072131565e-01 5.04 -2.982628986e-01 -2.982628986e-01 5.06 -2.895298706e-01 -2.895298706e-01 5.08 -2.810071585e-01 -2.810071585e-01 5.10 -2.726877487e-01 -2.726877487e-01 5.12 -2.645645534e-01 -2.645645534e-01 5.14 -2.566304510e-01 -2.566304510e-01 5.16 -2.488783416e-01 -2.488783416e-01 5.18 -2.413012185e-01 -2.413012185e-01 5.20 -2.338922577e-01 -2.338922577e-01 5.22 -2.266449252e-01 -2.266449252e-01 5.24 -2.195531020e-01 -2.195531020e-01 5.26 -2.126112247e-01 -2.126112247e-01 5.28 -2.058144381e-01 -2.058144381e-01 5.30 -1.991587525e-01 -1.991587525e-01 5.32 -1.926411957e-01 -1.926411957e-01 5.34 -1.862599481e-01 -1.862599481e-01 5.36 -1.800144448e-01 -1.800144448e-01 5.38 -1.739054266e-01 -1.739054266e-01 5.40 -1.679349262e-01 -1.679349262e-01 5.42 -1.621061732e-01 -1.621061732e-01 5.44 -1.564234127e-01 -1.564234127e-01 5.46 -1.508916370e-01 -1.508916370e-01 5.48 -1.455162427e-01 -1.455162427e-01 5.50 -1.403026349e-01 -1.403026349e-01 5.52 -1.352558081e-01 -1.352558081e-01 5.54 -1.303799426e-01 -1.303799426e-01 5.56 -1.256780500e-01 -1.256780500e-01 5.58 -1.211516963e-01 -1.211516963e-01 5.60 -1.168008273e-01 -1.168008273e-01 5.62 -1.126237020e-01 -1.126237020e-01 5.64 -1.086169323e-01 -1.086169323e-01 5.66 -1.047756097e-01 -1.047756097e-01 5.68 -1.010935017e-01 -1.010935017e-01 5.70 -9.756329185e-02 -9.756329185e-02 5.72 -9.417683596e-02 -9.417683596e-02 5.74 -9.092541475e-02 -9.092541475e-02 5.76 -8.779994968e-02 -8.779994968e-02 5.78 -8.479123377e-02 -8.479123377e-02 5.80 -8.189010035e-02 -8.189010035e-02 5.82 -7.908754201e-02 -7.908754201e-02 5.84 -7.637480860e-02 -7.637480860e-02 5.86 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