# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = SeTeZn2 # 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 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 1.493666693e+04 1.493666694e+04 0.96 1.311888488e+04 1.311888488e+04 0.98 1.155866631e+04 1.155866632e+04 1.00 1.021500008e+04 1.021500009e+04 1.02 9.054119784e+03 9.054119787e+03 1.04 8.048397525e+03 8.048397528e+03 1.06 7.173950998e+03 7.173951000e+03 1.08 6.408722372e+03 6.408722374e+03 1.10 5.733926580e+03 5.733926582e+03 1.12 5.136865706e+03 5.136865708e+03 1.14 4.608444867e+03 4.608444868e+03 1.16 4.139771089e+03 4.139771090e+03 1.18 3.722242954e+03 3.722242955e+03 1.20 3.348721801e+03 3.348721803e+03 1.22 3.013623839e+03 3.013623841e+03 1.24 2.712515765e+03 2.712515766e+03 1.26 2.442229655e+03 2.442229656e+03 1.28 2.200564911e+03 2.200564912e+03 1.30 1.985500249e+03 1.985500250e+03 1.32 1.794914717e+03 1.794914718e+03 1.34 1.626577830e+03 1.626577831e+03 1.36 1.478085120e+03 1.478085121e+03 1.38 1.346842036e+03 1.346842036e+03 1.40 1.230207891e+03 1.230207892e+03 1.42 1.125705597e+03 1.125705597e+03 1.44 1.031118534e+03 1.031118535e+03 1.46 9.445184011e+02 9.445184033e+02 1.48 8.644181890e+02 8.644181918e+02 1.50 7.899202022e+02 7.899202033e+02 1.52 7.206018794e+02 7.206018808e+02 1.54 6.562456036e+02 6.562456052e+02 1.56 5.967053798e+02 5.967053824e+02 1.58 5.418668367e+02 5.418668371e+02 1.60 4.916115806e+02 4.916115810e+02 1.62 4.457991147e+02 4.457991151e+02 1.64 4.042651520e+02 4.042651524e+02 1.66 3.668237672e+02 3.668237675e+02 1.68 3.332695780e+02 3.332695783e+02 1.70 3.033783777e+02 3.033783780e+02 1.72 2.769050308e+02 2.769050311e+02 1.74 2.535795114e+02 2.535795117e+02 1.76 2.331047135e+02 2.331047137e+02 1.78 2.151594169e+02 2.151594171e+02 1.80 1.994074943e+02 1.994074945e+02 1.82 1.855139336e+02 1.855139338e+02 1.84 1.731648850e+02 1.731648851e+02 1.86 1.620823169e+02 1.620823170e+02 1.88 1.520249249e+02 1.520249250e+02 1.90 1.427818247e+02 1.427818248e+02 1.92 1.341759745e+02 1.341759746e+02 1.94 1.260758445e+02 1.260758445e+02 1.96 1.183989916e+02 1.183989916e+02 1.98 1.111005738e+02 1.111005738e+02 2.00 1.041537957e+02 1.041537956e+02 2.02 9.753704100e+01 9.753704095e+01 2.04 9.123157433e+01 9.123157427e+01 2.06 8.522238218e+01 8.522238211e+01 2.08 7.949853967e+01 7.949853959e+01 2.10 7.405258752e+01 7.405258743e+01 2.12 6.887908929e+01 6.887908920e+01 2.14 6.397312456e+01 6.397312447e+01 2.16 5.932944428e+01 5.932944426e+01 2.18 5.494223838e+01 5.494223832e+01 2.20 5.080508289e+01 5.080508286e+01 2.22 4.691089646e+01 4.691089643e+01 2.24 4.325191273e+01 4.325191263e+01 2.26 3.981967056e+01 3.981967053e+01 2.28 3.660502640e+01 3.660502633e+01 2.30 3.359820334e+01 3.359820327e+01 2.32 3.078887585e+01 3.078887579e+01 2.34 2.816630218e+01 2.816630209e+01 2.36 2.571950749e+01 2.571950741e+01 2.38 2.343751561e+01 2.343751555e+01 2.40 2.130961745e+01 2.130961737e+01 2.42 1.932564145e+01 1.932564139e+01 2.44 1.747618647e+01 1.747618640e+01 2.46 1.575275119e+01 1.575275116e+01 2.48 1.414770857e+01 1.414770853e+01 2.50 1.265411993e+01 1.265411990e+01 2.52 1.126545972e+01 1.126545969e+01 2.54 9.975396094e+00 9.975396062e+00 2.56 8.777749603e+00 8.777749573e+00 2.58 7.666618034e+00 7.666618007e+00 2.60 6.636552305e+00 6.636552300e+00 2.62 5.682700954e+00 5.682700949e+00 2.64 4.800891279e+00 4.800891274e+00 2.66 3.987619235e+00 3.987619230e+00 2.68 3.239932589e+00 3.239932584e+00 2.70 2.555228439e+00 2.555228434e+00 2.72 1.931032369e+00 1.931032365e+00 2.74 1.364845488e+00 1.364845479e+00 2.76 8.541011781e-01 8.541011699e-01 2.78 3.961943794e-01 3.961943719e-01 2.80 -1.147648152e-02 -1.147648840e-02 2.82 -3.714750721e-01 -3.714750784e-01 2.84 -6.862986151e-01 -6.862986207e-01 2.86 -9.583573256e-01 -9.583573307e-01 2.88 -1.189966471e+00 -1.189966478e+00 2.90 -1.383355445e+00 -1.383355446e+00 2.92 -1.540695540e+00 -1.540695546e+00 2.94 -1.664144295e+00 -1.664144300e+00 2.96 -1.755897366e+00 -1.755897367e+00 2.98 -1.818233501e+00 -1.818233499e+00 3.00 -1.853537209e+00 -1.853537210e+00 3.02 -1.864291918e+00 -1.864291918e+00 3.04 -1.853050635e+00 -1.853050635e+00 3.06 -1.822399778e+00 -1.822399778e+00 3.08 -1.774925234e+00 -1.774925234e+00 3.10 -1.713179778e+00 -1.713179778e+00 3.12 -1.639649411e+00 -1.639649411e+00 3.14 -1.556718852e+00 -1.556718852e+00 3.16 -1.466637720e+00 -1.466637720e+00 3.18 -1.371489390e+00 -1.371489390e+00 3.20 -1.273164997e+00 -1.273164997e+00 3.22 -1.173345356e+00 -1.173345356e+00 3.24 -1.073493556e+00 -1.073493556e+00 3.26 -9.748604354e-01 -9.748604354e-01 3.28 -8.785036232e-01 -8.785036232e-01 3.30 -7.853180579e-01 -7.853180579e-01 3.32 -6.960719438e-01 -6.960719438e-01 3.34 -6.114379290e-01 -6.114379290e-01 3.36 -5.320075396e-01 -5.320075396e-01 3.38 -4.582813296e-01 -4.582813296e-01 3.40 -3.906393748e-01 -3.906393748e-01 3.42 -3.293099681e-01 -3.293099681e-01 3.44 -2.743549056e-01 -2.743549056e-01 3.46 -2.256758380e-01 -2.256758380e-01 3.48 -1.830363627e-01 -1.830363627e-01 3.50 -1.460956934e-01 -1.460956934e-01 3.52 -1.144504473e-01 -1.144504473e-01 3.54 -8.767809408e-02 -8.767809408e-02 3.56 -6.537196038e-02 -6.537196038e-02 3.58 -4.715646219e-02 -4.715646219e-02 3.60 -3.267608368e-02 -3.267608368e-02 3.62 -2.156413245e-02 -2.156413245e-02 3.64 -1.341125820e-02 -1.341125820e-02 3.66 -7.754978475e-03 -7.754978475e-03 3.68 -4.095418471e-03 -4.095418471e-03 3.70 -1.927830117e-03 -1.927830117e-03 3.72 -7.819511281e-04 -7.819511281e-04 3.74 -2.603120519e-04 -2.603120519e-04 3.76 -6.614885770e-05 -6.614885770e-05 3.78 -1.146041510e-05 -1.146041510e-05 3.80 -1.123699377e-06 -1.123699377e-06 3.82 -4.481313773e-08 -4.481313773e-08 3.84 -3.804942374e-10 -3.804942374e-10 3.86 -1.590469208e-13 -1.590469208e-13 3.88 -5.083738867e-20 -5.083738867e-20 3.90 -1.248983543e-37 -1.248983543e-37 3.92 -1.231028686e-263 -1.231028686e-263 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 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 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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