# 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 = Ag2NiTi # 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 2.254496131e+02 2.254496131e+02 1.30 2.084061645e+02 2.084061645e+02 1.32 1.926601649e+02 1.926601649e+02 1.34 1.781049289e+02 1.781049289e+02 1.36 1.646434547e+02 1.646434547e+02 1.38 1.521884558e+02 1.521884558e+02 1.40 1.406611301e+02 1.406611301e+02 1.42 1.299895824e+02 1.299895824e+02 1.44 1.201076613e+02 1.201076613e+02 1.46 1.109542716e+02 1.109542716e+02 1.48 1.024730160e+02 1.024730160e+02 1.50 9.461207212e+01 9.461207212e+01 1.52 8.732409024e+01 8.732409024e+01 1.54 8.056587449e+01 8.056587449e+01 1.56 7.429786348e+01 7.429786348e+01 1.58 6.848358984e+01 6.848358984e+01 1.60 6.308928639e+01 6.308928639e+01 1.62 5.808369590e+01 5.808369590e+01 1.64 5.343796437e+01 5.343796437e+01 1.66 4.912545036e+01 4.912545036e+01 1.68 4.512162269e+01 4.512162269e+01 1.70 4.140379562e+01 4.140379562e+01 1.72 3.795311886e+01 3.795311886e+01 1.74 3.475057734e+01 3.475057734e+01 1.76 3.177801222e+01 3.177801222e+01 1.78 2.901876772e+01 2.901876772e+01 1.80 2.645759375e+01 2.645759375e+01 1.82 2.408058340e+01 2.408058340e+01 1.84 2.187508650e+01 2.187508650e+01 1.86 1.982955271e+01 1.982955271e+01 1.88 1.793331730e+01 1.793331730e+01 1.90 1.617638617e+01 1.617638617e+01 1.92 1.454927355e+01 1.454927355e+01 1.94 1.304292244e+01 1.304292244e+01 1.96 1.164871080e+01 1.164871080e+01 1.98 1.035851418e+01 1.035851418e+01 2.00 9.164772347e+00 9.164772347e+00 2.02 8.060515842e+00 8.060515842e+00 2.04 7.039344211e+00 7.039344211e+00 2.06 6.095376662e+00 6.095376662e+00 2.08 5.223200441e+00 5.223200441e+00 2.10 4.417828684e+00 4.417828684e+00 2.12 3.674663710e+00 3.674663710e+00 2.14 2.989457988e+00 2.989457988e+00 2.16 2.358271369e+00 2.358271369e+00 2.18 1.777428643e+00 1.777428643e+00 2.20 1.243482120e+00 1.243482120e+00 2.22 7.531813290e-01 7.531813290e-01 2.24 3.034519315e-01 3.034519315e-01 2.26 -1.086147562e-01 -1.086147562e-01 2.28 -4.857629951e-01 -4.857629951e-01 2.30 -8.305690315e-01 -8.305690315e-01 2.32 -1.145438816e+00 -1.145438816e+00 2.34 -1.432606853e+00 -1.432606853e+00 2.36 -1.694135246e+00 -1.694135246e+00 2.38 -1.931912431e+00 -1.931912431e+00 2.40 -2.147656136e+00 -2.147656136e+00 2.42 -2.342925212e+00 -2.342925212e+00 2.44 -2.519140758e+00 -2.519140758e+00 2.46 -2.677612678e+00 -2.677612678e+00 2.48 -2.819579927e+00 -2.819579927e+00 2.50 -2.946249217e+00 -2.946249217e+00 2.52 -3.058669233e+00 -3.058669233e+00 2.54 -3.157842921e+00 -3.157842921e+00 2.56 -3.244741450e+00 -3.244741450e+00 2.58 -3.320304162e+00 -3.320304162e+00 2.60 -3.385434728e+00 -3.385434728e+00 2.62 -3.440995712e+00 -3.440995712e+00 2.64 -3.487763557e+00 -3.487763557e+00 2.66 -3.526361385e+00 -3.526361385e+00 2.68 -3.557329777e+00 -3.557329777e+00 2.70 -3.581065004e+00 -3.581065004e+00 2.72 -3.597945745e+00 -3.597945745e+00 2.74 -3.608359563e+00 -3.608359563e+00 2.76 -3.612697510e+00 -3.612697510e+00 2.78 -3.611348065e+00 -3.611348065e+00 2.80 -3.604690602e+00 -3.604690602e+00 2.82 -3.593089290e+00 -3.593089290e+00 2.84 -3.576889639e+00 -3.576889639e+00 2.86 -3.556417937e+00 -3.556417937e+00 2.88 -3.532118951e+00 -3.532118951e+00 2.90 -3.504313920e+00 -3.504313920e+00 2.92 -3.473099249e+00 -3.473099249e+00 2.94 -3.438601772e+00 -3.438601772e+00 2.96 -3.400977475e+00 -3.400977475e+00 2.98 -3.360410614e+00 -3.360410614e+00 3.00 -3.317113361e+00 -3.317113361e+00 3.02 -3.271324651e+00 -3.271324651e+00 3.04 -3.223308912e+00 -3.223308912e+00 3.06 -3.173359865e+00 -3.173359865e+00 3.08 -3.121777742e+00 -3.121777742e+00 3.10 -3.068851149e+00 -3.068851149e+00 3.12 -3.014846137e+00 -3.014846137e+00 3.14 -2.959998749e+00 -2.959998749e+00 3.16 -2.904511488e+00 -2.904511488e+00 3.18 -2.848554249e+00 -2.848554249e+00 3.20 -2.792267950e+00 -2.792267950e+00 3.22 -2.735769653e+00 -2.735769653e+00 3.24 -2.679157927e+00 -2.679157927e+00 3.26 -2.622517611e+00 -2.622517611e+00 3.28 -2.565923617e+00 -2.565923617e+00 3.30 -2.509443712e+00 -2.509443712e+00 3.32 -2.453140429e+00 -2.453140429e+00 3.34 -2.397072308e+00 -2.397072308e+00 3.36 -2.341294709e+00 -2.341294709e+00 3.38 -2.285860391e+00 -2.285860391e+00 3.40 -2.230820018e+00 -2.230820018e+00 3.42 -2.176222808e+00 -2.176222808e+00 3.44 -2.122117151e+00 -2.122117151e+00 3.46 -2.068551499e+00 -2.068551499e+00 3.48 -2.015575136e+00 -2.015575136e+00 3.50 -1.963238699e+00 -1.963238699e+00 3.52 -1.911594128e+00 -1.911594128e+00 3.54 -1.860693768e+00 -1.860693768e+00 3.56 -1.810588532e+00 -1.810588532e+00 3.58 -1.761325271e+00 -1.761325271e+00 3.60 -1.712943821e+00 -1.712943821e+00 3.62 -1.665474346e+00 -1.665474346e+00 3.64 -1.618935603e+00 -1.618935603e+00 3.66 -1.573334518e+00 -1.573334518e+00 3.68 -1.528667130e+00 -1.528667130e+00 3.70 -1.484920678e+00 -1.484920678e+00 3.72 -1.442076400e+00 -1.442076400e+00 3.74 -1.400112634e+00 -1.400112634e+00 3.76 -1.359007792e+00 -1.359007792e+00 3.78 -1.318742967e+00 -1.318742967e+00 3.80 -1.279303932e+00 -1.279303932e+00 3.82 -1.240682390e+00 -1.240682390e+00 3.84 -1.202876389e+00 -1.202876389e+00 3.86 -1.165889835e+00 -1.165889835e+00 3.88 -1.129731190e+00 -1.129731190e+00 3.90 -1.094411490e+00 -1.094411490e+00 3.92 -1.059941957e+00 -1.059941957e+00 3.94 -1.026331680e+00 -1.026331680e+00 3.96 -9.935853588e-01 -9.935853588e-01 3.98 -9.617018803e-01 -9.617018803e-01 4.00 -9.306734904e-01 -9.306734904e-01 4.02 -9.004857380e-01 -9.004857380e-01 4.04 -8.711180482e-01 -8.711180482e-01 4.06 -8.425447484e-01 -8.425447484e-01 4.08 -8.147363528e-01 -8.147363528e-01 4.10 -7.876608722e-01 -7.876608722e-01 4.12 -7.612854255e-01 -7.612854255e-01 4.14 -7.355770557e-01 -7.355770557e-01 4.16 -7.105041362e-01 -7.105041362e-01 4.18 -6.860372586e-01 -6.860372586e-01 4.20 -6.621500627e-01 -6.621500627e-01 4.22 -6.388199257e-01 -6.388199257e-01 4.24 -6.160285007e-01 -6.160285007e-01 4.26 -5.937620848e-01 -5.937620848e-01 4.28 -5.720117920e-01 -5.720117920e-01 4.30 -5.507735120e-01 -5.507735120e-01 4.32 -5.300476468e-01 -5.300476468e-01 4.34 -5.098386369e-01 -5.098386369e-01 4.36 -4.901543031e-01 -4.901543031e-01 4.38 -4.710050457e-01 -4.710050457e-01 4.40 -4.524029451e-01 -4.524029451e-01 4.42 -4.343608004e-01 -4.343608004e-01 4.44 -4.168911348e-01 -4.168911348e-01 4.46 -4.000051881e-01 -4.000051881e-01 4.48 -3.837119184e-01 -3.837119184e-01 4.50 -3.680170477e-01 -3.680170477e-01 4.52 -3.529222028e-01 -3.529222028e-01 4.54 -3.384242203e-01 -3.384242203e-01 4.56 -3.245146860e-01 -3.245146860e-01 4.58 -3.111797668e-01 -3.111797668e-01 4.60 -2.984003651e-01 -2.984003651e-01 4.62 -2.861525863e-01 -2.861525863e-01 4.64 -2.744084740e-01 -2.744084740e-01 4.66 -2.631369428e-01 -2.631369428e-01 4.68 -2.523048254e-01 -2.523048254e-01 4.70 -2.418779537e-01 -2.418779537e-01 4.72 -2.318222092e-01 -2.318222092e-01 4.74 -2.221044965e-01 -2.221044965e-01 4.76 -2.126936153e-01 -2.126936153e-01 4.78 -2.035610197e-01 -2.035610197e-01 4.80 -1.946814235e-01 -1.946814235e-01 4.82 -1.860335157e-01 -1.860335157e-01 4.84 -1.776001138e-01 -1.776001138e-01 4.86 -1.693686732e-01 -1.693686732e-01 4.88 -1.613314240e-01 -1.613314240e-01 4.90 -1.534854081e-01 -1.534854081e-01 4.92 -1.458323418e-01 -1.458323418e-01 4.94 -1.383782788e-01 -1.383782788e-01 4.96 -1.311330612e-01 -1.311330612e-01 4.98 -1.241095560e-01 -1.241095560e-01 5.00 -1.173227044e-01 -1.173227044e-01 5.02 -1.107884276e-01 -1.107884276e-01 5.04 -1.045224622e-01 -1.045224622e-01 5.06 -9.853921143e-02 -9.853921143e-02 5.08 -9.285070303e-02 -9.285070303e-02 5.10 -8.746573913e-02 -8.746573913e-02 5.12 -8.238929968e-02 -8.238929968e-02 5.14 -7.762223584e-02 -7.762223584e-02 5.16 -7.316125154e-02 -7.316125154e-02 5.18 -6.899914232e-02 -6.899914232e-02 5.20 -6.512515287e-02 -6.512515287e-02 5.22 -6.152560334e-02 -6.152560334e-02 5.24 -5.818488010e-02 -5.818488010e-02 5.26 -5.508564629e-02 -5.508564629e-02 5.28 -5.220965723e-02 -5.220965723e-02 5.30 -4.953850261e-02 -4.953850261e-02 5.32 -4.705379351e-02 -4.705379351e-02 5.34 -4.473756791e-02 -4.473756791e-02 5.36 -4.257259344e-02 -4.257259344e-02 5.38 -4.054257596e-02 -4.054257596e-02 5.40 -3.863229007e-02 -3.863229007e-02 5.42 -3.682764821e-02 -3.682764821e-02 5.44 -3.511572455e-02 -3.511572455e-02 5.46 -3.348474830e-02 -3.348474830e-02 5.48 -3.192407871e-02 -3.192407871e-02 5.50 -3.042417199e-02 -3.042417199e-02 5.52 -2.897654778e-02 -2.897654778e-02 5.54 -2.757376104e-02 -2.757376104e-02 5.56 -2.620938174e-02 -2.620938174e-02 5.58 -2.487798487e-02 -2.487798487e-02 5.60 -2.357514949e-02 -2.357514949e-02 5.62 -2.229746393e-02 -2.229746393e-02 5.64 -2.104253253e-02 -2.104253253e-02 5.66 -1.980897789e-02 -1.980897789e-02 5.68 -1.859643088e-02 -1.859643088e-02 5.70 -1.740550069e-02 -1.740550069e-02 5.72 -1.623771720e-02 -1.623771720e-02 5.74 -1.509543978e-02 -1.509543978e-02 5.76 -1.398172603e-02 -1.398172603e-02 5.78 -1.290000149e-02 -1.290000149e-02 5.80 -1.185417037e-02 -1.185417037e-02 5.82 -1.084837822e-02 -1.084837822e-02 5.84 -9.886658001e-03 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