# 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 = MoPdTi2 # 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 3.103717527e+02 3.103717527e+02 1.30 2.877296634e+02 2.877296634e+02 1.32 2.667566775e+02 2.667566775e+02 1.34 2.473279641e+02 2.473279641e+02 1.36 2.293266097e+02 2.293266097e+02 1.38 2.126410592e+02 2.126410592e+02 1.40 1.971652387e+02 1.971652387e+02 1.42 1.828001892e+02 1.828001892e+02 1.44 1.694556928e+02 1.694556928e+02 1.46 1.570508154e+02 1.570508154e+02 1.48 1.455132257e+02 1.455132257e+02 1.50 1.347779365e+02 1.347779365e+02 1.52 1.247860932e+02 1.247860932e+02 1.54 1.154840559e+02 1.154840559e+02 1.56 1.068227040e+02 1.068227040e+02 1.58 9.875679293e+01 9.875679293e+01 1.60 9.124439799e+01 9.124439799e+01 1.62 8.424661784e+01 8.424661784e+01 1.64 7.772751227e+01 7.772751227e+01 1.66 7.165403327e+01 7.165403327e+01 1.68 6.599581949e+01 6.599581949e+01 1.70 6.072490018e+01 6.072490018e+01 1.72 5.581534246e+01 5.581534246e+01 1.74 5.124283129e+01 5.124283129e+01 1.76 4.698426213e+01 4.698426213e+01 1.78 4.301750590e+01 4.301750590e+01 1.80 3.932142153e+01 3.932142153e+01 1.82 3.587657994e+01 3.587657994e+01 1.84 3.266955757e+01 3.266955757e+01 1.86 2.969470424e+01 2.969470424e+01 1.88 2.693600385e+01 2.693600385e+01 1.90 2.437776354e+01 2.437776354e+01 1.92 2.200584781e+01 2.200584781e+01 1.94 1.980744835e+01 1.980744835e+01 1.96 1.777084726e+01 1.777084726e+01 1.98 1.588519792e+01 1.588519792e+01 2.00 1.414034013e+01 1.414034013e+01 2.02 1.252665526e+01 1.252665526e+01 2.04 1.103496681e+01 1.103496681e+01 2.06 9.656496027e+00 9.656496027e+00 2.08 8.382876763e+00 8.382876763e+00 2.10 7.206213089e+00 7.206213089e+00 2.12 6.119144858e+00 6.119144858e+00 2.14 5.114891223e+00 5.114891223e+00 2.16 4.187260421e+00 4.187260421e+00 2.18 3.330628113e+00 3.330628113e+00 2.20 2.539891398e+00 2.539891398e+00 2.22 1.810406141e+00 1.810406141e+00 2.24 1.137920056e+00 1.137920056e+00 2.26 5.185144225e-01 5.185144225e-01 2.28 -5.143828878e-02 -5.143828878e-02 2.30 -5.753019949e-01 -5.753019949e-01 2.32 -1.056198892e+00 -1.056198892e+00 2.34 -1.497029380e+00 -1.497029380e+00 2.36 -1.900492675e+00 -1.900492675e+00 2.38 -2.269106990e+00 -2.269106990e+00 2.40 -2.605229811e+00 -2.605229811e+00 2.42 -2.911077741e+00 -2.911077741e+00 2.44 -3.188743724e+00 -3.188743724e+00 2.46 -3.440209968e+00 -3.440209968e+00 2.48 -3.667354230e+00 -3.667354230e+00 2.50 -3.871948395e+00 -3.871948395e+00 2.52 -4.055649774e+00 -4.055649774e+00 2.54 -4.219988540e+00 -4.219988540e+00 2.56 -4.366357193e+00 -4.366357193e+00 2.58 -4.496007835e+00 -4.496007835e+00 2.60 -4.610050324e+00 -4.610050324e+00 2.62 -4.709376855e+00 -4.709376855e+00 2.64 -4.794953728e+00 -4.794953728e+00 2.66 -4.867713717e+00 -4.867713717e+00 2.68 -4.928513851e+00 -4.928513851e+00 2.70 -4.978155744e+00 -4.978155744e+00 2.72 -5.017479839e+00 -5.017479839e+00 2.74 -5.047134296e+00 -5.047134296e+00 2.76 -5.067685396e+00 -5.067685396e+00 2.78 -5.079674633e+00 -5.079674633e+00 2.80 -5.083516302e+00 -5.083516302e+00 2.82 -5.079549779e+00 -5.079549779e+00 2.84 -5.068175676e+00 -5.068175676e+00 2.86 -5.050192245e+00 -5.050192245e+00 2.88 -5.025867569e+00 -5.025867569e+00 2.90 -4.995202047e+00 -4.995202047e+00 2.92 -4.958249429e+00 -4.958249429e+00 2.94 -4.915165935e+00 -4.915165935e+00 2.96 -4.866201389e+00 -4.866201389e+00 2.98 -4.811703315e+00 -4.811703315e+00 3.00 -4.752167379e+00 -4.752167379e+00 3.02 -4.688145026e+00 -4.688145026e+00 3.04 -4.620185300e+00 -4.620185300e+00 3.06 -4.548811842e+00 -4.548811842e+00 3.08 -4.474499449e+00 -4.474499449e+00 3.10 -4.397655798e+00 -4.397655798e+00 3.12 -4.318611140e+00 -4.318611140e+00 3.14 -4.237618673e+00 -4.237618673e+00 3.16 -4.154863050e+00 -4.154863050e+00 3.18 -4.070475684e+00 -4.070475684e+00 3.20 -3.984551725e+00 -3.984551725e+00 3.22 -3.897166470e+00 -3.897166470e+00 3.24 -3.808389557e+00 -3.808389557e+00 3.26 -3.718296507e+00 -3.718296507e+00 3.28 -3.626977872e+00 -3.626977872e+00 3.30 -3.534546409e+00 -3.534546409e+00 3.32 -3.441142614e+00 -3.441142614e+00 3.34 -3.346938742e+00 -3.346938742e+00 3.36 -3.252141173e+00 -3.252141173e+00 3.38 -3.156990923e+00 -3.156990923e+00 3.40 -3.061762014e+00 -3.061762014e+00 3.42 -2.966757755e+00 -2.966757755e+00 3.44 -2.872304583e+00 -2.872304583e+00 3.46 -2.778744314e+00 -2.778744314e+00 3.48 -2.686424761e+00 -2.686424761e+00 3.50 -2.595689372e+00 -2.595689372e+00 3.52 -2.506866275e+00 -2.506866275e+00 3.54 -2.420257175e+00 -2.420257175e+00 3.56 -2.336126611e+00 -2.336126611e+00 3.58 -2.254692310e+00 -2.254692310e+00 3.60 -2.176117609e+00 -2.176117609e+00 3.62 -2.100506969e+00 -2.100506969e+00 3.64 -2.027905363e+00 -2.027905363e+00 3.66 -1.958301704e+00 -1.958301704e+00 3.68 -1.891635799e+00 -1.891635799e+00 3.70 -1.827807714e+00 -1.827807714e+00 3.72 -1.766688216e+00 -1.766688216e+00 3.74 -1.708129034e+00 -1.708129034e+00 3.76 -1.651972017e+00 -1.651972017e+00 3.78 -1.598056688e+00 -1.598056688e+00 3.80 -1.546226016e+00 -1.546226016e+00 3.82 -1.496330519e+00 -1.496330519e+00 3.84 -1.448230915e+00 -1.448230915e+00 3.86 -1.401799614e+00 -1.401799614e+00 3.88 -1.356921336e+00 -1.356921336e+00 3.90 -1.313493123e+00 -1.313493123e+00 3.92 -1.271423904e+00 -1.271423904e+00 3.94 -1.230634111e+00 -1.230634111e+00 3.96 -1.191054668e+00 -1.191054668e+00 3.98 -1.152626548e+00 -1.152626548e+00 4.00 -1.115300066e+00 -1.115300066e+00 4.02 -1.079034255e+00 -1.079034255e+00 4.04 -1.043796228e+00 -1.043796228e+00 4.06 -1.009560451e+00 -1.009560451e+00 4.08 -9.763078482e-01 -9.763078482e-01 4.10 -9.440245650e-01 -9.440245650e-01 4.12 -9.127011852e-01 -9.127011852e-01 4.14 -8.823302887e-01 -8.823302887e-01 4.16 -8.529054209e-01 -8.529054209e-01 4.18 -8.244192858e-01 -8.244192858e-01 4.20 -7.968622825e-01 -7.968622825e-01 4.22 -7.702213603e-01 -7.702213603e-01 4.24 -7.444792893e-01 -7.444792893e-01 4.26 -7.196143841e-01 -7.196143841e-01 4.28 -6.956006534e-01 -6.956006534e-01 4.30 -6.724082950e-01 -6.724082950e-01 4.32 -6.500044267e-01 -6.500044267e-01 4.34 -6.283539374e-01 -6.283539374e-01 4.36 -6.074203539e-01 -6.074203539e-01 4.38 -5.871666481e-01 -5.871666481e-01 4.40 -5.675559358e-01 -5.675559358e-01 4.42 -5.485520484e-01 -5.485520484e-01 4.44 -5.301199794e-01 -5.301199794e-01 4.46 -5.122262244e-01 -5.122262244e-01 4.48 -4.948390391e-01 -4.948390391e-01 4.50 -4.779286448e-01 -4.779286448e-01 4.52 -4.614674058e-01 -4.614674058e-01 4.54 -4.454300008e-01 -4.454300008e-01 4.56 -4.297935995e-01 -4.297935995e-01 4.58 -4.145380494e-01 -4.145380494e-01 4.60 -3.996460656e-01 -3.996460656e-01 4.62 -3.851034077e-01 -3.851034077e-01 4.64 -3.708990201e-01 -3.708990201e-01 4.66 -3.570251028e-01 -3.570251028e-01 4.68 -3.434770828e-01 -3.434770828e-01 4.70 -3.302534545e-01 -3.302534545e-01 4.72 -3.173554725e-01 -3.173554725e-01 4.74 -3.047866910e-01 -3.047866910e-01 4.76 -2.925523715e-01 -2.925523715e-01 4.78 -2.806587959e-01 -2.806587959e-01 4.80 -2.691124651e-01 -2.691124651e-01 4.82 -2.579197628e-01 -2.579197628e-01 4.84 -2.470858431e-01 -2.470858431e-01 4.86 -2.366146049e-01 -2.366146049e-01 4.88 -2.265083910e-01 -2.265083910e-01 4.90 -2.167679877e-01 -2.167679877e-01 4.92 -2.073927970e-01 -2.073927970e-01 4.94 -1.983811180e-01 -1.983811180e-01 4.96 -1.897304623e-01 -1.897304623e-01 4.98 -1.814378253e-01 -1.814378253e-01 5.00 -1.734998470e-01 -1.734998470e-01 5.02 -1.659128270e-01 -1.659128270e-01 5.04 -1.586725843e-01 -1.586725843e-01 5.06 -1.517741964e-01 -1.517741964e-01 5.08 -1.452116709e-01 -1.452116709e-01 5.10 -1.389776167e-01 -1.389776167e-01 5.12 -1.330629649e-01 -1.330629649e-01 5.14 -1.274564308e-01 -1.274564308e-01 5.16 -1.221454754e-01 -1.221454754e-01 5.18 -1.171160534e-01 -1.171160534e-01 5.20 -1.123525893e-01 -1.123525893e-01 5.22 -1.078383626e-01 -1.078383626e-01 5.24 -1.035559230e-01 -1.035559230e-01 5.26 -9.948749660e-02 -9.948749660e-02 5.28 -9.561535103e-02 -9.561535103e-02 5.30 -9.192210133e-02 -9.192210133e-02 5.32 -8.839094689e-02 -8.839094689e-02 5.34 -8.500584061e-02 -8.500584061e-02 5.36 -8.175159707e-02 -8.175159707e-02 5.38 -7.861395108e-02 -7.861395108e-02 5.40 -7.557957922e-02 -7.557957922e-02 5.42 -7.263609760e-02 -7.263609760e-02 5.44 -6.977204779e-02 -6.977204779e-02 5.46 -6.697688159e-02 -6.697688159e-02 5.48 -6.424095331e-02 -6.424095331e-02 5.50 -6.155552647e-02 -6.155552647e-02 5.52 -5.891279964e-02 -5.891279964e-02 5.54 -5.630595414e-02 -5.630595414e-02 5.56 -5.372922389e-02 -5.372922389e-02 5.58 -5.117798537e-02 -5.117798537e-02 5.60 -4.864886260e-02 -4.864886260e-02 5.62 -4.613983917e-02 -4.613983917e-02 5.64 -4.365036620e-02 -4.365036620e-02 5.66 -4.118145234e-02 -4.118145234e-02 5.68 -3.873571982e-02 -3.873571982e-02 5.70 -3.631740969e-02 -3.631740969e-02 5.72 -3.393232059e-02 -3.393232059e-02 5.74 -3.158766878e-02 -3.158766878e-02 5.76 -2.929186303e-02 -2.929186303e-02 5.78 -2.705419643e-02 -2.705419643e-02 5.80 -2.488446547e-02 -2.488446547e-02 5.82 -2.279253861e-02 -2.279253861e-02 5.84 -2.078790286e-02 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