# 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 = Cu2PbPt # 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 2.360435783e+02 2.360435783e+02 1.30 2.194213037e+02 2.194213037e+02 1.32 2.039486331e+02 2.039486331e+02 1.34 1.895515900e+02 1.895515900e+02 1.36 1.761575962e+02 1.761575962e+02 1.38 1.636913149e+02 1.636913149e+02 1.40 1.520761471e+02 1.520761471e+02 1.42 1.412387566e+02 1.412387566e+02 1.44 1.311130084e+02 1.311130084e+02 1.46 1.216423810e+02 1.216423810e+02 1.48 1.127806602e+02 1.127806602e+02 1.50 1.044899550e+02 1.044899550e+02 1.52 9.673628805e+01 9.673628805e+01 1.54 8.948548506e+01 8.948548506e+01 1.56 8.270165557e+01 8.270165557e+01 1.58 7.634822130e+01 7.634822130e+01 1.60 7.038976676e+01 7.038976676e+01 1.62 6.479354719e+01 6.479354719e+01 1.64 5.953037056e+01 5.953037056e+01 1.66 5.460303033e+01 5.460303033e+01 1.68 5.003728650e+01 5.003728650e+01 1.70 4.580960133e+01 4.580960133e+01 1.72 4.189901253e+01 4.189901253e+01 1.74 3.828661561e+01 3.828661561e+01 1.76 3.495403567e+01 3.495403567e+01 1.78 3.188252357e+01 3.188252357e+01 1.80 2.905282375e+01 2.905282375e+01 1.82 2.644565979e+01 2.644565979e+01 1.84 2.404247657e+01 2.404247657e+01 1.86 2.182607708e+01 2.182607708e+01 1.88 1.978090365e+01 1.978090365e+01 1.90 1.789293053e+01 1.789293053e+01 1.92 1.614934757e+01 1.614934757e+01 1.94 1.453832690e+01 1.453832690e+01 1.96 1.304897547e+01 1.304897547e+01 1.98 1.167143808e+01 1.167143808e+01 2.00 1.039697529e+01 1.039697529e+01 2.02 9.217911532e+00 9.217911532e+00 2.04 8.127465422e+00 8.127465422e+00 2.06 7.119544086e+00 7.119544086e+00 2.08 6.188568976e+00 6.188568976e+00 2.10 5.329350230e+00 5.329350230e+00 2.12 4.537013345e+00 4.537013345e+00 2.14 3.806954729e+00 3.806954729e+00 2.16 3.134825478e+00 3.134825478e+00 2.18 2.516532430e+00 2.516532430e+00 2.20 1.948245992e+00 1.948245992e+00 2.22 1.426411358e+00 1.426411358e+00 2.24 9.477550050e-01 9.477550050e-01 2.26 5.092809237e-01 5.092809237e-01 2.28 1.082470770e-01 1.082470770e-01 2.30 -2.578751411e-01 -2.578751411e-01 2.32 -5.914591762e-01 -5.914591762e-01 2.34 -8.947633930e-01 -8.947633930e-01 2.36 -1.170151909e+00 -1.170151909e+00 2.38 -1.421015993e+00 -1.421015993e+00 2.40 -1.649127431e+00 -1.649127431e+00 2.42 -1.855878100e+00 -1.855878100e+00 2.44 -2.042630243e+00 -2.042630243e+00 2.46 -2.210719074e+00 -2.210719074e+00 2.48 -2.361463080e+00 -2.361463080e+00 2.50 -2.496173127e+00 -2.496173127e+00 2.52 -2.616151066e+00 -2.616151066e+00 2.54 -2.722671715e+00 -2.722671715e+00 2.56 -2.816949153e+00 -2.816949153e+00 2.58 -2.900096684e+00 -2.900096684e+00 2.60 -2.973094839e+00 -2.973094839e+00 2.62 -3.036778991e+00 -3.036778991e+00 2.64 -3.091853376e+00 -3.091853376e+00 2.66 -3.138916492e+00 -3.138916492e+00 2.68 -3.178498271e+00 -3.178498271e+00 2.70 -3.211243600e+00 -3.211243600e+00 2.72 -3.237858715e+00 -3.237858715e+00 2.74 -3.258439461e+00 -3.258439461e+00 2.76 -3.273102420e+00 -3.273102420e+00 2.78 -3.281997067e+00 -3.281997067e+00 2.80 -3.285287578e+00 -3.285287578e+00 2.82 -3.283141861e+00 -3.283141861e+00 2.84 -3.275732516e+00 -3.275732516e+00 2.86 -3.263245212e+00 -3.263245212e+00 2.88 -3.245895355e+00 -3.245895355e+00 2.90 -3.223966290e+00 -3.223966290e+00 2.92 -3.197804099e+00 -3.197804099e+00 2.94 -3.167810075e+00 -3.167810075e+00 2.96 -3.134438892e+00 -3.134438892e+00 2.98 -3.098185432e+00 -3.098185432e+00 3.00 -3.059561245e+00 -3.059561245e+00 3.02 -3.019064968e+00 -3.019064968e+00 3.04 -2.977152076e+00 -2.977152076e+00 3.06 -2.934215873e+00 -2.934215873e+00 3.08 -2.890568668e+00 -2.890568668e+00 3.10 -2.846444650e+00 -2.846444650e+00 3.12 -2.802005372e+00 -2.802005372e+00 3.14 -2.757365941e+00 -2.757365941e+00 3.16 -2.712683605e+00 -2.712683605e+00 3.18 -2.668048987e+00 -2.668048987e+00 3.20 -2.623485661e+00 -2.623485661e+00 3.22 -2.578989850e+00 -2.578989850e+00 3.24 -2.534540299e+00 -2.534540299e+00 3.26 -2.490105464e+00 -2.490105464e+00 3.28 -2.445649239e+00 -2.445649239e+00 3.30 -2.401136008e+00 -2.401136008e+00 3.32 -2.356535185e+00 -2.356535185e+00 3.34 -2.311822453e+00 -2.311822453e+00 3.36 -2.266979724e+00 -2.266979724e+00 3.38 -2.222004209e+00 -2.222004209e+00 3.40 -2.176909206e+00 -2.176909206e+00 3.42 -2.131723426e+00 -2.131723426e+00 3.44 -2.086487604e+00 -2.086487604e+00 3.46 -2.041251984e+00 -2.041251984e+00 3.48 -1.996072598e+00 -1.996072598e+00 3.50 -1.951007777e+00 -1.951007777e+00 3.52 -1.906115031e+00 -1.906115031e+00 3.54 -1.861448529e+00 -1.861448529e+00 3.56 -1.817057291e+00 -1.817057291e+00 3.58 -1.772984159e+00 -1.772984159e+00 3.60 -1.729265512e+00 -1.729265512e+00 3.62 -1.685931665e+00 -1.685931665e+00 3.64 -1.643007848e+00 -1.643007848e+00 3.66 -1.600515645e+00 -1.600515645e+00 3.68 -1.558474703e+00 -1.558474703e+00 3.70 -1.516904566e+00 -1.516904566e+00 3.72 -1.475826395e+00 -1.475826395e+00 3.74 -1.435264397e+00 -1.435264397e+00 3.76 -1.395246734e+00 -1.395246734e+00 3.78 -1.355805755e+00 -1.355805755e+00 3.80 -1.316977425e+00 -1.316977425e+00 3.82 -1.278799910e+00 -1.278799910e+00 3.84 -1.241311399e+00 -1.241311399e+00 3.86 -1.204547349e+00 -1.204547349e+00 3.88 -1.168537497e+00 -1.168537497e+00 3.90 -1.133303030e+00 -1.133303030e+00 3.92 -1.098854125e+00 -1.098854125e+00 3.94 -1.065189541e+00 -1.065189541e+00 3.96 -1.032295006e+00 -1.032295006e+00 3.98 -1.000145217e+00 -1.000145217e+00 4.00 -9.687055910e-01 -9.687055910e-01 4.02 -9.379350675e-01 -9.379350675e-01 4.04 -9.077893964e-01 -9.077893964e-01 4.06 -8.782245973e-01 -8.782245973e-01 4.08 -8.492003022e-01 -8.492003022e-01 4.10 -8.206817782e-01 -8.206817782e-01 4.12 -7.926462599e-01 -7.926462599e-01 4.14 -7.650783027e-01 -7.650783027e-01 4.16 -7.379748047e-01 -7.379748047e-01 4.18 -7.113434881e-01 -7.113434881e-01 4.20 -6.852015616e-01 -6.852015616e-01 4.22 -6.595735583e-01 -6.595735583e-01 4.24 -6.344886316e-01 -6.344886316e-01 4.26 -6.099776762e-01 -6.099776762e-01 4.28 -5.860706677e-01 -5.860706677e-01 4.30 -5.627945551e-01 -5.627945551e-01 4.32 -5.401719099e-01 -5.401719099e-01 4.34 -5.182203665e-01 -5.182203665e-01 4.36 -4.969527217e-01 -4.969527217e-01 4.38 -4.763774425e-01 -4.763774425e-01 4.40 -4.564992835e-01 -4.564992835e-01 4.42 -4.373197488e-01 -4.373197488e-01 4.44 -4.188372242e-01 -4.188372242e-01 4.46 -4.010467334e-01 -4.010467334e-01 4.48 -3.839393934e-01 -3.839393934e-01 4.50 -3.675017349e-01 -3.675017349e-01 4.52 -3.517150983e-01 -3.517150983e-01 4.54 -3.365553013e-01 -3.365553013e-01 4.56 -3.219927229e-01 -3.219927229e-01 4.58 -3.079928716e-01 -3.079928716e-01 4.60 -2.945174255e-01 -2.945174255e-01 4.62 -2.815256567e-01 -2.815256567e-01 4.64 -2.689761404e-01 -2.689761404e-01 4.66 -2.568285973e-01 -2.568285973e-01 4.68 -2.450457122e-01 -2.450457122e-01 4.70 -2.335948192e-01 -2.335948192e-01 4.72 -2.224493430e-01 -2.224493430e-01 4.74 -2.115894268e-01 -2.115894268e-01 4.76 -2.010032883e-01 -2.010032883e-01 4.78 -1.906881146e-01 -1.906881146e-01 4.80 -1.806476897e-01 -1.806476897e-01 4.82 -1.708950405e-01 -1.708950405e-01 4.84 -1.614460778e-01 -1.614460778e-01 4.86 -1.523216121e-01 -1.523216121e-01 4.88 -1.435445299e-01 -1.435445299e-01 4.90 -1.351378135e-01 -1.351378135e-01 4.92 -1.271226318e-01 -1.271226318e-01 4.94 -1.195166673e-01 -1.195166673e-01 4.96 -1.123328131e-01 -1.123328131e-01 4.98 -1.055783198e-01 -1.055783198e-01 5.00 -9.925441979e-02 -9.925441979e-02 5.02 -9.335640260e-02 -9.335640260e-02 5.04 -8.787406828e-02 -8.787406828e-02 5.06 -8.279246352e-02 -8.279246352e-02 5.08 -7.809279416e-02 -7.809279416e-02 5.10 -7.375341238e-02 -7.375341238e-02 5.12 -6.975078814e-02 -6.975078814e-02 5.14 -6.606040484e-02 -6.606040484e-02 5.16 -6.265753514e-02 -6.265753514e-02 5.18 -5.951787546e-02 -5.951787546e-02 5.20 -5.661803429e-02 -5.661803429e-02 5.22 -5.393588140e-02 -5.393588140e-02 5.24 -5.145077333e-02 -5.145077333e-02 5.26 -4.914369725e-02 -4.914369725e-02 5.28 -4.699754536e-02 -4.699754536e-02 5.30 -4.499651370e-02 -4.499651370e-02 5.32 -4.312624661e-02 -4.312624661e-02 5.34 -4.137385735e-02 -4.137385735e-02 5.36 -3.972780888e-02 -3.972780888e-02 5.38 -3.817778674e-02 -3.817778674e-02 5.40 -3.671457151e-02 -3.671457151e-02 5.42 -3.532991624e-02 -3.532991624e-02 5.44 -3.401643233e-02 -3.401643233e-02 5.46 -3.276748597e-02 -3.276748597e-02 5.48 -3.157710581e-02 -3.157710581e-02 5.50 -3.043990190e-02 -3.043990190e-02 5.52 -2.935099523e-02 -2.935099523e-02 5.54 -2.830595699e-02 -2.830595699e-02 5.56 -2.730075625e-02 -2.730075625e-02 5.58 -2.633171537e-02 -2.633171537e-02 5.60 -2.539547179e-02 -2.539547179e-02 5.62 -2.448894584e-02 -2.448894584e-02 5.64 -2.360931347e-02 -2.360931347e-02 5.66 -2.275398383e-02 -2.275398383e-02 5.68 -2.192058128e-02 -2.192058128e-02 5.70 -2.110693158e-02 -2.110693158e-02 5.72 -2.031105202e-02 -2.031105202e-02 5.74 -1.953114535e-02 -1.953114535e-02 5.76 -1.876559748e-02 -1.876559748e-02 5.78 -1.801297849e-02 -1.801297849e-02 5.80 -1.727204682e-02 -1.727204682e-02 5.82 -1.654175610e-02 -1.654175610e-02 5.84 -1.582126403e-02 -1.582126403e-02 5.86 -1.510994252e-02 -1.510994252e-02 5.88 -1.440738817e-02 -1.440738817e-02 5.90 -1.371343184e-02 -1.371343184e-02 5.92 -1.302814604e-02 -1.302814604e-02 5.94 -1.235184047e-02 -1.235184047e-02 5.96 -1.168501237e-02 -1.168501237e-02 5.98 -1.102846160e-02 -1.102846160e-02 6.00 -1.038322561e-02 -1.038322561e-02