# 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 = MgNiZr2 # 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 3.474883098e+02 3.474883098e+02 1.30 3.225478741e+02 3.225478741e+02 1.32 2.994322675e+02 2.994322675e+02 1.34 2.779956919e+02 2.779956919e+02 1.36 2.581069396e+02 2.581069396e+02 1.38 2.396482428e+02 2.396482428e+02 1.40 2.225131718e+02 2.225131718e+02 1.42 2.066037132e+02 2.066037132e+02 1.44 1.918279342e+02 1.918279342e+02 1.46 1.780995294e+02 1.780995294e+02 1.48 1.653386545e+02 1.653386545e+02 1.50 1.534722817e+02 1.534722817e+02 1.52 1.424335751e+02 1.424335751e+02 1.54 1.321609962e+02 1.321609962e+02 1.56 1.225978512e+02 1.225978512e+02 1.58 1.136923502e+02 1.136923502e+02 1.60 1.053975100e+02 1.053975100e+02 1.62 9.767059346e+01 9.767059346e+01 1.64 9.047229438e+01 9.047229438e+01 1.66 8.376604119e+01 8.376604119e+01 1.68 7.751756911e+01 7.751756911e+01 1.70 7.169486441e+01 7.169486441e+01 1.72 6.626814767e+01 6.626814767e+01 1.74 6.120985341e+01 6.120985341e+01 1.76 5.649452804e+01 5.649452804e+01 1.78 5.209874176e+01 5.209874176e+01 1.80 4.800090647e+01 4.800090647e+01 1.82 4.418106849e+01 4.418106849e+01 1.84 4.062052560e+01 4.062052560e+01 1.86 3.730168005e+01 3.730168005e+01 1.88 3.420878345e+01 3.420878345e+01 1.90 3.132695531e+01 3.132695531e+01 1.92 2.864202383e+01 2.864202383e+01 1.94 2.614094813e+01 2.614094813e+01 1.96 2.381150172e+01 2.381150172e+01 1.98 2.164235733e+01 2.164235733e+01 2.00 1.962302008e+01 1.962302008e+01 2.02 1.774371968e+01 1.774371968e+01 2.04 1.599534444e+01 1.599534444e+01 2.06 1.436934834e+01 1.436934834e+01 2.08 1.285764982e+01 1.285764982e+01 2.10 1.145256621e+01 1.145256621e+01 2.12 1.014681997e+01 1.014681997e+01 2.14 8.933576923e+00 8.933576923e+00 2.16 7.806519364e+00 7.806519364e+00 2.18 6.759859712e+00 6.759859712e+00 2.20 5.788302663e+00 5.788302663e+00 2.22 4.886939345e+00 4.886939345e+00 2.24 4.051162954e+00 4.051162954e+00 2.26 3.276631544e+00 3.276631544e+00 2.28 2.559258956e+00 2.559258956e+00 2.30 1.895265556e+00 1.895265556e+00 2.32 1.281138333e+00 1.281138333e+00 2.34 7.136637426e-01 7.136637426e-01 2.36 1.898573298e-01 1.898573298e-01 2.38 -2.930648175e-01 -2.930648175e-01 2.40 -7.377200224e-01 -7.377200224e-01 2.42 -1.146597105e+00 -1.146597105e+00 2.44 -1.522075636e+00 -1.522075636e+00 2.46 -1.866452566e+00 -1.866452566e+00 2.48 -2.181944966e+00 -2.181944966e+00 2.50 -2.470677711e+00 -2.470677711e+00 2.52 -2.734658536e+00 -2.734658536e+00 2.54 -2.975748867e+00 -2.975748867e+00 2.56 -3.195640145e+00 -3.195640145e+00 2.58 -3.395844307e+00 -3.395844307e+00 2.60 -3.577702952e+00 -3.577702952e+00 2.62 -3.742408600e+00 -3.742408600e+00 2.64 -3.891061667e+00 -3.891061667e+00 2.66 -4.024783169e+00 -4.024783169e+00 2.68 -4.144481374e+00 -4.144481374e+00 2.70 -4.250970005e+00 -4.250970005e+00 2.72 -4.345070608e+00 -4.345070608e+00 2.74 -4.427605646e+00 -4.427605646e+00 2.76 -4.499385363e+00 -4.499385363e+00 2.78 -4.561188371e+00 -4.561188371e+00 2.80 -4.613758532e+00 -4.613758532e+00 2.82 -4.657705071e+00 -4.657705071e+00 2.84 -4.693367283e+00 -4.693367283e+00 2.86 -4.721042526e+00 -4.721042526e+00 2.88 -4.741042118e+00 -4.741042118e+00 2.90 -4.753689275e+00 -4.753689275e+00 2.92 -4.759318441e+00 -4.759318441e+00 2.94 -4.758273336e+00 -4.758273336e+00 2.96 -4.750904589e+00 -4.750904589e+00 2.98 -4.737568316e+00 -4.737568316e+00 3.00 -4.718622622e+00 -4.718622622e+00 3.02 -4.694424326e+00 -4.694424326e+00 3.04 -4.665321853e+00 -4.665321853e+00 3.06 -4.631673801e+00 -4.631673801e+00 3.08 -4.593817737e+00 -4.593817737e+00 3.10 -4.552094166e+00 -4.552094166e+00 3.12 -4.506815935e+00 -4.506815935e+00 3.14 -4.458251082e+00 -4.458251082e+00 3.16 -4.406659146e+00 -4.406659146e+00 3.18 -4.352318184e+00 -4.352318184e+00 3.20 -4.295515577e+00 -4.295515577e+00 3.22 -4.236543497e+00 -4.236543497e+00 3.24 -4.175695150e+00 -4.175695150e+00 3.26 -4.113262179e+00 -4.113262179e+00 3.28 -4.049532594e+00 -4.049532594e+00 3.30 -3.984787819e+00 -3.984787819e+00 3.32 -3.919297595e+00 -3.919297595e+00 3.34 -3.853312556e+00 -3.853312556e+00 3.36 -3.787055750e+00 -3.787055750e+00 3.38 -3.720715264e+00 -3.720715264e+00 3.40 -3.654438201e+00 -3.654438201e+00 3.42 -3.588338449e+00 -3.588338449e+00 3.44 -3.522488231e+00 -3.522488231e+00 3.46 -3.456933333e+00 -3.456933333e+00 3.48 -3.391698217e+00 -3.391698217e+00 3.50 -3.326793161e+00 -3.326793161e+00 3.52 -3.262220284e+00 -3.262220284e+00 3.54 -3.197978180e+00 -3.197978180e+00 3.56 -3.134065191e+00 -3.134065191e+00 3.58 -3.070481542e+00 -3.070481542e+00 3.60 -3.007230601e+00 -3.007230601e+00 3.62 -2.944319492e+00 -2.944319492e+00 3.64 -2.881759317e+00 -2.881759317e+00 3.66 -2.819565198e+00 -2.819565198e+00 3.68 -2.757756383e+00 -2.757756383e+00 3.70 -2.696356598e+00 -2.696356598e+00 3.72 -2.635394836e+00 -2.635394836e+00 3.74 -2.574906638e+00 -2.574906638e+00 3.76 -2.514935793e+00 -2.514935793e+00 3.78 -2.455536365e+00 -2.455536365e+00 3.80 -2.396786635e+00 -2.396786635e+00 3.82 -2.338762883e+00 -2.338762883e+00 3.84 -2.281544052e+00 -2.281544052e+00 3.86 -2.225220294e+00 -2.225220294e+00 3.88 -2.169888159e+00 -2.169888159e+00 3.90 -2.115644095e+00 -2.115644095e+00 3.92 -2.062573519e+00 -2.062573519e+00 3.94 -2.010758845e+00 -2.010758845e+00 3.96 -1.960250205e+00 -1.960250205e+00 3.98 -1.911078603e+00 -1.911078603e+00 4.00 -1.863241421e+00 -1.863241421e+00 4.02 -1.816705583e+00 -1.816705583e+00 4.04 -1.771423750e+00 -1.771423750e+00 4.06 -1.727338708e+00 -1.727338708e+00 4.08 -1.684387363e+00 -1.684387363e+00 4.10 -1.642498090e+00 -1.642498090e+00 4.12 -1.601619879e+00 -1.601619879e+00 4.14 -1.561683185e+00 -1.561683185e+00 4.16 -1.522630384e+00 -1.522630384e+00 4.18 -1.484408876e+00 -1.484408876e+00 4.20 -1.446971445e+00 -1.446971445e+00 4.22 -1.410276331e+00 -1.410276331e+00 4.24 -1.374287151e+00 -1.374287151e+00 4.26 -1.338972765e+00 -1.338972765e+00 4.28 -1.304307176e+00 -1.304307176e+00 4.30 -1.270269486e+00 -1.270269486e+00 4.32 -1.236843936e+00 -1.236843936e+00 4.34 -1.204019988e+00 -1.204019988e+00 4.36 -1.171792414e+00 -1.171792414e+00 4.38 -1.140161314e+00 -1.140161314e+00 4.40 -1.109131963e+00 -1.109131963e+00 4.42 -1.078714438e+00 -1.078714438e+00 4.44 -1.048922924e+00 -1.048922924e+00 4.46 -1.019774695e+00 -1.019774695e+00 4.48 -9.912887900e-01 -9.912887900e-01 4.50 -9.634844668e-01 -9.634844668e-01 4.52 -9.363795657e-01 -9.363795657e-01 4.54 -9.099889455e-01 -9.099889455e-01 4.56 -8.843231576e-01 -8.843231576e-01 4.58 -8.593874887e-01 -8.593874887e-01 4.60 -8.351814535e-01 -8.351814535e-01 4.62 -8.116987525e-01 -8.116987525e-01 4.64 -7.889276462e-01 -7.889276462e-01 4.66 -7.668516565e-01 -7.668516565e-01 4.68 -7.454504771e-01 -7.454504771e-01 4.70 -7.247009777e-01 -7.247009777e-01 4.72 -7.045781970e-01 -7.045781970e-01 4.74 -6.850562496e-01 -6.850562496e-01 4.76 -6.661090963e-01 -6.661090963e-01 4.78 -6.477111531e-01 -6.477111531e-01 4.80 -6.298314384e-01 -6.298314384e-01 4.82 -6.124601381e-01 -6.124601381e-01 4.84 -5.955675785e-01 -5.955675785e-01 4.86 -5.791330920e-01 -5.791330920e-01 4.88 -5.631374006e-01 -5.631374006e-01 4.90 -5.475625347e-01 -5.475625347e-01 4.92 -5.323917115e-01 -5.323917115e-01 4.94 -5.176091933e-01 -5.176091933e-01 4.96 -5.032001362e-01 -5.032001362e-01 4.98 -4.891504415e-01 -4.891504415e-01 5.00 -4.754466164e-01 -4.754466164e-01 5.02 -4.620756489e-01 -4.620756489e-01 5.04 -4.490249020e-01 -4.490249020e-01 5.06 -4.362820290e-01 -4.362820290e-01 5.08 -4.238349112e-01 -4.238349112e-01 5.10 -4.116716213e-01 -4.116716213e-01 5.12 -3.997804128e-01 -3.997804128e-01 5.14 -3.881497383e-01 -3.881497383e-01 5.16 -3.767682984e-01 -3.767682984e-01 5.18 -3.656251219e-01 -3.656251219e-01 5.20 -3.547096818e-01 -3.547096818e-01 5.22 -3.440120447e-01 -3.440120447e-01 5.24 -3.335230547e-01 -3.335230547e-01 5.26 -3.232345476e-01 -3.232345476e-01 5.28 -3.131395892e-01 -3.131395892e-01 5.30 -3.032327250e-01 -3.032327250e-01 5.32 -2.935102268e-01 -2.935102268e-01 5.34 -2.839703131e-01 -2.839703131e-01 5.36 -2.746133174e-01 -2.746133174e-01 5.38 -2.654417768e-01 -2.654417768e-01 5.40 -2.564604107e-01 -2.564604107e-01 5.42 -2.476759679e-01 -2.476759679e-01 5.44 -2.390969272e-01 -2.390969272e-01 5.46 -2.307330524e-01 -2.307330524e-01 5.48 -2.225948188e-01 -2.225948188e-01 5.50 -2.146927490e-01 -2.146927490e-01 5.52 -2.070367056e-01 -2.070367056e-01 5.54 -1.996352046e-01 -1.996352046e-01 5.56 -1.924948072e-01 -1.924948072e-01 5.58 -1.856196428e-01 -1.856196428e-01 5.60 -1.790111007e-01 -1.790111007e-01 5.62 -1.726677049e-01 -1.726677049e-01 5.64 -1.665851671e-01 -1.665851671e-01 5.66 -1.607565923e-01 -1.607565923e-01 5.68 -1.551728018e-01 -1.551728018e-01 5.70 -1.498227313e-01 -1.498227313e-01 5.72 -1.446937492e-01 -1.446937492e-01 5.74 -1.397722199e-01 -1.397722199e-01 5.76 -1.350440641e-01 -1.350440641e-01 5.78 -1.304948801e-01 -1.304948801e-01 5.80 -1.261102391e-01 -1.261102391e-01 5.82 -1.218759194e-01 -1.218759194e-01 5.84 -1.177780809e-01 -1.177780809e-01 5.86 -1.138033886e-01 -1.138033886e-01 5.88 -1.099390948e-01 -1.099390948e-01 5.90 -1.061730910e-01 -1.061730910e-01 5.92 -1.024939387e-01 -1.024939387e-01 5.94 -9.889089093e-02 -9.889089093e-02 5.96 -9.535391041e-02 -9.535391041e-02 5.98 -9.187369300e-02 -9.187369300e-02 6.00 -8.844170126e-02 -8.844170126e-02