# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = CdSeTe2 # 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 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 2.00 3.387499383e+01 3.387499383e+01 2.02 3.174427898e+01 3.174427898e+01 2.04 2.973817987e+01 2.973817987e+01 2.06 2.785033092e+01 2.785033092e+01 2.08 2.607479735e+01 2.607479735e+01 2.10 2.440581732e+01 2.440581732e+01 2.12 2.283741968e+01 2.283741968e+01 2.14 2.136295303e+01 2.136295303e+01 2.16 1.997467863e+01 1.997467863e+01 2.18 1.866372582e+01 1.866372582e+01 2.20 1.742074594e+01 1.742074594e+01 2.22 1.623742748e+01 1.623742748e+01 2.24 1.510724125e+01 1.510724125e+01 2.26 1.402912492e+01 1.402912492e+01 2.28 1.300245414e+01 1.300245414e+01 2.30 1.202991395e+01 1.202991395e+01 2.32 1.111160200e+01 1.111160200e+01 2.34 1.024465866e+01 1.024465866e+01 2.36 9.426392649e+00 9.426392649e+00 2.38 8.654312008e+00 8.654312008e+00 2.40 7.926130054e+00 7.926130054e+00 2.42 7.239738802e+00 7.239738802e+00 2.44 6.593135445e+00 6.593135445e+00 2.46 5.984549382e+00 5.984549382e+00 2.48 5.412226301e+00 5.412226301e+00 2.50 4.874476390e+00 4.874476390e+00 2.52 4.369728127e+00 4.369728127e+00 2.54 3.896488335e+00 3.896488335e+00 2.56 3.453264098e+00 3.453264098e+00 2.58 3.038480707e+00 3.038480707e+00 2.60 2.650473649e+00 2.650473649e+00 2.62 2.287653098e+00 2.287653098e+00 2.64 1.948168868e+00 1.948168868e+00 2.66 1.630766173e+00 1.630766173e+00 2.68 1.334165367e+00 1.334165367e+00 2.70 1.057227228e+00 1.057227228e+00 2.72 7.990775553e-01 7.990775553e-01 2.74 5.584475686e-01 5.584475686e-01 2.76 3.350661367e-01 3.350661367e-01 2.78 1.279995878e-01 1.279995878e-01 2.80 -6.358312904e-02 -6.358312904e-02 2.82 -2.404787499e-01 -2.404787499e-01 2.84 -4.034511059e-01 -4.034511059e-01 2.86 -5.532321849e-01 -5.532321849e-01 2.88 -6.905235720e-01 -6.905235720e-01 2.90 -8.159973492e-01 -8.159973492e-01 2.92 -9.302973596e-01 -9.302973596e-01 2.94 -1.034040207e+00 -1.034040207e+00 2.96 -1.127816206e+00 -1.127816206e+00 2.98 -1.212190438e+00 -1.212190438e+00 3.00 -1.287703598e+00 -1.287703598e+00 3.02 -1.354872933e+00 -1.354872933e+00 3.04 -1.414193087e+00 -1.414193087e+00 3.06 -1.466136905e+00 -1.466136905e+00 3.08 -1.511156223e+00 -1.511156223e+00 3.10 -1.549682703e+00 -1.549682703e+00 3.12 -1.582128465e+00 -1.582128465e+00 3.14 -1.608886874e+00 -1.608886874e+00 3.16 -1.630333220e+00 -1.630333220e+00 3.18 -1.646825356e+00 -1.646825356e+00 3.20 -1.658704385e+00 -1.658704385e+00 3.22 -1.666295260e+00 -1.666295260e+00 3.24 -1.669907437e+00 -1.669907437e+00 3.26 -1.669835459e+00 -1.669835459e+00 3.28 -1.666359554e+00 -1.666359554e+00 3.30 -1.659746271e+00 -1.659746271e+00 3.32 -1.650249096e+00 -1.650249096e+00 3.34 -1.638109075e+00 -1.638109075e+00 3.36 -1.623555523e+00 -1.623555523e+00 3.38 -1.606806760e+00 -1.606806760e+00 3.40 -1.588070953e+00 -1.588070953e+00 3.42 -1.567547031e+00 -1.567547031e+00 3.44 -1.545425787e+00 -1.545425787e+00 3.46 -1.521891086e+00 -1.521891086e+00 3.48 -1.497121204e+00 -1.497121204e+00 3.50 -1.471290244e+00 -1.471290244e+00 3.52 -1.444569413e+00 -1.444569413e+00 3.54 -1.417127882e+00 -1.417127882e+00 3.56 -1.389132615e+00 -1.389132615e+00 3.58 -1.360746402e+00 -1.360746402e+00 3.60 -1.332122859e+00 -1.332122859e+00 3.62 -1.303397397e+00 -1.303397397e+00 3.64 -1.274673178e+00 -1.274673178e+00 3.66 -1.246002659e+00 -1.246002659e+00 3.68 -1.217367606e+00 -1.217367606e+00 3.70 -1.188663747e+00 -1.188663747e+00 3.72 -1.159699167e+00 -1.159699167e+00 3.74 -1.130215347e+00 -1.130215347e+00 3.76 -1.099934317e+00 -1.099934317e+00 3.78 -1.068623718e+00 -1.068623718e+00 3.80 -1.036158655e+00 -1.036158655e+00 3.82 -1.002552972e+00 -1.002552972e+00 3.84 -9.678079596e-01 -9.678079596e-01 3.86 -9.323465640e-01 -9.323465640e-01 3.88 -8.961171095e-01 -8.961171095e-01 3.90 -8.595254230e-01 -8.595254230e-01 3.92 -8.225262146e-01 -8.225262146e-01 3.94 -7.850905420e-01 -7.850905420e-01 3.96 -7.471636512e-01 -7.471636512e-01 3.98 -7.086336091e-01 -7.086336091e-01 4.00 -6.695575038e-01 -6.695575038e-01 4.02 -6.298868800e-01 -6.298868800e-01 4.04 -5.895894610e-01 -5.895894610e-01 4.06 -5.486718859e-01 -5.486718859e-01 4.08 -5.071944793e-01 -5.071944793e-01 4.10 -4.652875534e-01 -4.652875534e-01 4.12 -4.231683526e-01 -4.231683526e-01 4.14 -3.811571919e-01 -3.811571919e-01 4.16 -3.396906890e-01 -3.396906890e-01 4.18 -2.993290158e-01 -2.993290158e-01 4.20 -2.607549787e-01 -2.607549787e-01 4.22 -2.247664374e-01 -2.247664374e-01 4.24 -1.922537195e-01 -1.922537195e-01 4.26 -1.640878672e-01 -1.640878672e-01 4.28 -1.407776216e-01 -1.407776216e-01 4.30 -1.220020647e-01 -1.220020647e-01 4.32 -1.066117222e-01 -1.066117222e-01 4.34 -9.299375532e-02 -9.299375532e-02 4.36 -8.127766541e-02 -8.127766541e-02 4.38 -7.001863742e-02 -7.001863742e-02 4.40 -5.938185645e-02 -5.938185645e-02 4.42 -4.944971697e-02 -4.944971697e-02 4.44 -4.029995046e-02 -4.029995046e-02 4.46 -3.199878301e-02 -3.199878301e-02 4.48 -2.459376197e-02 -2.459376197e-02 4.50 -1.810900882e-02 -1.810900882e-02 4.52 -1.255034598e-02 -1.255034598e-02 4.54 -7.935108556e-03 -7.935108556e-03 4.56 -4.348050545e-03 -4.348050545e-03 4.58 -1.924947844e-03 -1.924947844e-03 4.60 3.632786361e-05 3.632786361e-05 4.62 1.580144813e-05 1.580144813e-05 4.64 3.625515834e-06 3.625515834e-06 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00