# 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 = Ag2MgZr # 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 3.496921170e+02 3.496921170e+02 1.30 3.244423389e+02 3.244423389e+02 1.32 3.010635001e+02 3.010635001e+02 1.34 2.794059538e+02 2.794059538e+02 1.36 2.593325899e+02 2.593325899e+02 1.38 2.407188209e+02 2.407188209e+02 1.40 2.234517070e+02 2.234517070e+02 1.42 2.074281224e+02 2.074281224e+02 1.44 1.925529903e+02 1.925529903e+02 1.46 1.787383460e+02 1.787383460e+02 1.48 1.659032295e+02 1.659032295e+02 1.50 1.539737611e+02 1.539737611e+02 1.52 1.428828349e+02 1.428828349e+02 1.54 1.325692504e+02 1.325692504e+02 1.56 1.229768123e+02 1.229768123e+02 1.58 1.140537145e+02 1.140537145e+02 1.60 1.057521123e+02 1.057521123e+02 1.62 9.802763688e+01 9.802763688e+01 1.64 9.083892334e+01 9.083892334e+01 1.66 8.414726765e+01 8.414726765e+01 1.68 7.791651832e+01 7.791651832e+01 1.70 7.211320987e+01 7.211320987e+01 1.72 6.670663647e+01 6.670663647e+01 1.74 6.166919451e+01 6.166919451e+01 1.76 5.697538225e+01 5.697538225e+01 1.78 5.260145145e+01 5.260145145e+01 1.80 4.852637628e+01 4.852637628e+01 1.82 4.473128666e+01 4.473128666e+01 1.84 4.119693114e+01 4.119693114e+01 1.86 3.790536797e+01 3.790536797e+01 1.88 3.483999156e+01 3.483999156e+01 1.90 3.198551114e+01 3.198551114e+01 1.92 2.932785603e+01 2.932785603e+01 1.94 2.685400952e+01 2.685400952e+01 1.96 2.455184010e+01 2.455184010e+01 1.98 2.240999909e+01 2.240999909e+01 2.00 2.041787237e+01 2.041787237e+01 2.02 1.856554415e+01 1.856554415e+01 2.04 1.684375252e+01 1.684375252e+01 2.06 1.524382753e+01 1.524382753e+01 2.08 1.375761386e+01 1.375761386e+01 2.10 1.237741909e+01 1.237741909e+01 2.12 1.109598168e+01 1.109598168e+01 2.14 9.906470641e+00 9.906470641e+00 2.16 8.802505320e+00 8.802505320e+00 2.18 7.778159492e+00 7.778159492e+00 2.20 6.827954007e+00 6.827954007e+00 2.22 5.946818486e+00 5.946818486e+00 2.24 5.130057970e+00 5.130057970e+00 2.26 4.373331610e+00 4.373331610e+00 2.28 3.672627483e+00 3.672627483e+00 2.30 3.024272868e+00 3.024272868e+00 2.32 2.424887150e+00 2.424887150e+00 2.34 1.871366049e+00 1.871366049e+00 2.36 1.360824921e+00 1.360824921e+00 2.38 8.905565355e-01 8.905565355e-01 2.40 4.579916794e-01 4.579916794e-01 2.42 6.066491491e-02 6.066491491e-02 2.44 -3.037988367e-01 -3.037988367e-01 2.46 -6.377251443e-01 -6.377251443e-01 2.48 -9.433518430e-01 -9.433518430e-01 2.50 -1.222698371e+00 -1.222698371e+00 2.52 -1.477678029e+00 -1.477678029e+00 2.54 -1.710089610e+00 -1.710089610e+00 2.56 -1.921612708e+00 -1.921612708e+00 2.58 -2.113810806e+00 -2.113810806e+00 2.60 -2.288137373e+00 -2.288137373e+00 2.62 -2.445855554e+00 -2.445855554e+00 2.64 -2.588021691e+00 -2.588021691e+00 2.66 -2.715627383e+00 -2.715627383e+00 2.68 -2.829616342e+00 -2.829616342e+00 2.70 -2.930876373e+00 -2.930876373e+00 2.72 -3.020238417e+00 -3.020238417e+00 2.74 -3.098479683e+00 -3.098479683e+00 2.76 -3.166328609e+00 -3.166328609e+00 2.78 -3.224467285e+00 -3.224467285e+00 2.80 -3.273543487e+00 -3.273543487e+00 2.82 -3.314158507e+00 -3.314158507e+00 2.84 -3.346879493e+00 -3.346879493e+00 2.86 -3.372239357e+00 -3.372239357e+00 2.88 -3.390740188e+00 -3.390740188e+00 2.90 -3.402857057e+00 -3.402857057e+00 2.92 -3.409041823e+00 -3.409041823e+00 2.94 -3.409726681e+00 -3.409726681e+00 2.96 -3.405327280e+00 -3.405327280e+00 2.98 -3.396245291e+00 -3.396245291e+00 3.00 -3.382870256e+00 -3.382870256e+00 3.02 -3.365580513e+00 -3.365580513e+00 3.04 -3.344740792e+00 -3.344740792e+00 3.06 -3.320710173e+00 -3.320710173e+00 3.08 -3.293955377e+00 -3.293955377e+00 3.10 -3.264802886e+00 -3.264802886e+00 3.12 -3.233399074e+00 -3.233399074e+00 3.14 -3.199902774e+00 -3.199902774e+00 3.16 -3.164466890e+00 -3.164466890e+00 3.18 -3.127244504e+00 -3.127244504e+00 3.20 -3.088384839e+00 -3.088384839e+00 3.22 -3.048033723e+00 -3.048033723e+00 3.24 -3.006335717e+00 -3.006335717e+00 3.26 -2.963439882e+00 -2.963439882e+00 3.28 -2.919508974e+00 -2.919508974e+00 3.30 -2.874710517e+00 -2.874710517e+00 3.32 -2.829213036e+00 -2.829213036e+00 3.34 -2.783182102e+00 -2.783182102e+00 3.36 -2.736774720e+00 -2.736774720e+00 3.38 -2.690133696e+00 -2.690133696e+00 3.40 -2.643382427e+00 -2.643382427e+00 3.42 -2.596627969e+00 -2.596627969e+00 3.44 -2.549957190e+00 -2.549957190e+00 3.46 -2.503453418e+00 -2.503453418e+00 3.48 -2.457160972e+00 -2.457160972e+00 3.50 -2.411112395e+00 -2.411112395e+00 3.52 -2.365335434e+00 -2.365335434e+00 3.54 -2.319854409e+00 -2.319854409e+00 3.56 -2.274690884e+00 -2.274690884e+00 3.58 -2.229863809e+00 -2.229863809e+00 3.60 -2.185389352e+00 -2.185389352e+00 3.62 -2.141279957e+00 -2.141279957e+00 3.64 -2.097531508e+00 -2.097531508e+00 3.66 -2.054125542e+00 -2.054125542e+00 3.68 -2.011045098e+00 -2.011045098e+00 3.70 -1.968275385e+00 -1.968275385e+00 3.72 -1.925804306e+00 -1.925804306e+00 3.74 -1.883623468e+00 -1.883623468e+00 3.76 -1.841729577e+00 -1.841729577e+00 3.78 -1.800126018e+00 -1.800126018e+00 3.80 -1.758824346e+00 -1.758824346e+00 3.82 -1.717845307e+00 -1.717845307e+00 3.84 -1.677219055e+00 -1.677219055e+00 3.86 -1.636984240e+00 -1.636984240e+00 3.88 -1.597185903e+00 -1.597185903e+00 3.90 -1.557872333e+00 -1.557872333e+00 3.92 -1.519090180e+00 -1.519090180e+00 3.94 -1.480885576e+00 -1.480885576e+00 3.96 -1.443293469e+00 -1.443293469e+00 3.98 -1.406341030e+00 -1.406341030e+00 4.00 -1.370045581e+00 -1.370045581e+00 4.02 -1.334415112e+00 -1.334415112e+00 4.04 -1.299449684e+00 -1.299449684e+00 4.06 -1.265143300e+00 -1.265143300e+00 4.08 -1.231485913e+00 -1.231485913e+00 4.10 -1.198461138e+00 -1.198461138e+00 4.12 -1.166065295e+00 -1.166065295e+00 4.14 -1.134281179e+00 -1.134281179e+00 4.16 -1.103098411e+00 -1.103098411e+00 4.18 -1.072508988e+00 -1.072508988e+00 4.20 -1.042507762e+00 -1.042507762e+00 4.22 -1.013092706e+00 -1.013092706e+00 4.24 -9.842649834e-01 -9.842649834e-01 4.26 -9.560288004e-01 -9.560288004e-01 4.28 -9.283910445e-01 -9.283910445e-01 4.30 -9.013606880e-01 -9.013606880e-01 4.32 -8.749479787e-01 -8.749479787e-01 4.34 -8.491634592e-01 -8.491634592e-01 4.36 -8.240168873e-01 -8.240168873e-01 4.38 -7.995161548e-01 -7.995161548e-01 4.40 -7.756663101e-01 -7.756663101e-01 4.42 -7.524687822e-01 -7.524687822e-01 4.44 -7.299208744e-01 -7.299208744e-01 4.46 -7.080155618e-01 -7.080155618e-01 4.48 -6.867415824e-01 -6.867415824e-01 4.50 -6.660837783e-01 -6.660837783e-01 4.52 -6.460236205e-01 -6.460236205e-01 4.54 -6.265398435e-01 -6.265398435e-01 4.56 -6.076091188e-01 -6.076091188e-01 4.58 -5.892067118e-01 -5.892067118e-01 4.60 -5.713070853e-01 -5.713070853e-01 4.62 -5.538844277e-01 -5.538844277e-01 4.64 -5.369131047e-01 -5.369131047e-01 4.66 -5.203680394e-01 -5.203680394e-01 4.68 -5.042250376e-01 -5.042250376e-01 4.70 -4.884610733e-01 -4.884610733e-01 4.72 -4.730545530e-01 -4.730545530e-01 4.74 -4.579855733e-01 -4.579855733e-01 4.76 -4.432361797e-01 -4.432361797e-01 4.78 -4.287906316e-01 -4.287906316e-01 4.80 -4.146323729e-01 -4.146323729e-01 4.82 -4.007580463e-01 -4.007580463e-01 4.84 -3.871561610e-01 -3.871561610e-01 4.86 -3.738223653e-01 -3.738223653e-01 4.88 -3.607555778e-01 -3.607555778e-01 4.90 -3.479579856e-01 -3.479579856e-01 4.92 -3.354349021e-01 -3.354349021e-01 4.94 -3.231944612e-01 -3.231944612e-01 4.96 -3.112471379e-01 -3.112471379e-01 4.98 -2.996051011e-01 -2.996051011e-01 5.00 -2.882814246e-01 -2.882814246e-01 5.02 -2.772892022e-01 -2.772892022e-01 5.04 -2.666406288e-01 -2.666406288e-01 5.06 -2.563461192e-01 -2.563461192e-01 5.08 -2.464135364e-01 -2.464135364e-01 5.10 -2.368475904e-01 -2.368475904e-01 5.12 -2.276494534e-01 -2.276494534e-01 5.14 -2.188166116e-01 -2.188166116e-01 5.16 -2.103429505e-01 -2.103429505e-01 5.18 -2.022190498e-01 -2.022190498e-01 5.20 -1.944326493e-01 -1.944326493e-01 5.22 -1.869692354e-01 -1.869692354e-01 5.24 -1.798126984e-01 -1.798126984e-01 5.26 -1.729460126e-01 -1.729460126e-01 5.28 -1.663517807e-01 -1.663517807e-01 5.30 -1.600130770e-01 -1.600130770e-01 5.32 -1.539139795e-01 -1.539139795e-01 5.34 -1.480398874e-01 -1.480398874e-01 5.36 -1.423778761e-01 -1.423778761e-01 5.38 -1.369169352e-01 -1.369169352e-01 5.40 -1.316480820e-01 -1.316480820e-01 5.42 -1.265643504e-01 -1.265643504e-01 5.44 -1.216606564e-01 -1.216606564e-01 5.46 -1.169335525e-01 -1.169335525e-01 5.48 -1.123808916e-01 -1.123808916e-01 5.50 -1.080014116e-01 -1.080014116e-01 5.52 -1.037942962e-01 -1.037942962e-01 5.54 -9.975874287e-02 -9.975874287e-02 5.56 -9.589356564e-02 -9.589356564e-02 5.58 -9.219686985e-02 -9.219686985e-02 5.60 -8.866570530e-02 -8.866570530e-02 5.62 -8.529550064e-02 -8.529550064e-02 5.64 -8.208159446e-02 -8.208159446e-02 5.66 -7.901832129e-02 -7.901832129e-02 5.68 -7.609895081e-02 -7.609895081e-02 5.70 -7.331590466e-02 -7.331590466e-02 5.72 -7.066098989e-02 -7.066098989e-02 5.74 -6.812562791e-02 -6.812562791e-02 5.76 -6.570106338e-02 -6.570106338e-02 5.78 -6.337854324e-02 -6.337854324e-02 5.80 -6.114946152e-02 -6.114946152e-02 5.82 -5.900546960e-02 -5.900546960e-02 5.84 -5.693855487e-02 -5.693855487e-02 5.86 -5.494109241e-02 -5.494109241e-02 5.88 -5.300587528e-02 -5.300587528e-02 5.90 -5.112612926e-02 -5.112612926e-02 5.92 -4.929551760e-02 -4.929551760e-02 5.94 -4.750814075e-02 -4.750814075e-02 5.96 -4.575853534e-02 -4.575853534e-02 5.98 -4.404167598e-02 -4.404167598e-02 6.00 -4.235298253e-02 -4.235298253e-02