# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FId2Li # 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 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 7.914271108e+06 7.914271108e+06 1.28 6.016812744e+06 6.016812744e+06 1.30 4.593432570e+06 4.593432570e+06 1.32 3.520996352e+06 3.520996352e+06 1.34 2.709541067e+06 2.709541067e+06 1.36 2.093026630e+06 2.093026630e+06 1.38 1.622750262e+06 1.622750262e+06 1.40 1.262634633e+06 1.262634633e+06 1.42 9.858388026e+05 9.858388026e+05 1.44 7.723091321e+05 7.723091321e+05 1.46 6.070021707e+05 6.070021707e+05 1.48 4.785876978e+05 4.785876978e+05 1.50 3.784991506e+05 3.784991506e+05 1.52 3.002353757e+05 3.002353757e+05 1.54 2.388445339e+05 2.388445339e+05 1.56 1.905414345e+05 1.905414345e+05 1.58 1.524227059e+05 1.524227059e+05 1.60 1.222539987e+05 1.222539987e+05 1.62 9.831003234e+04 9.831003234e+04 1.64 7.925437438e+04 7.925437438e+04 1.66 6.404860323e+04 6.404860323e+04 1.68 5.188346498e+04 5.188346498e+04 1.70 4.212636094e+04 4.212636094e+04 1.72 3.428140058e+04 3.428140058e+04 1.74 2.795875290e+04 2.795875290e+04 1.76 2.285113741e+04 2.285113741e+04 1.78 1.871569730e+04 1.871569730e+04 1.80 1.535998728e+04 1.535998728e+04 1.82 1.263112233e+04 1.263112233e+04 1.84 1.040734672e+04 1.040734672e+04 1.86 8.591441475e+03 8.591441475e+03 1.88 7.105648324e+03 7.105648324e+03 1.90 5.887594108e+03 5.887594108e+03 1.92 4.887135432e+03 4.887135432e+03 1.94 4.063876261e+03 4.063876261e+03 1.96 3.385204289e+03 3.385204289e+03 1.98 2.824735755e+03 2.824735755e+03 2.00 2.361075537e+03 2.361075537e+03 2.02 1.976859465e+03 1.976859465e+03 2.04 1.657950727e+03 1.657950727e+03 2.06 1.392820199e+03 1.392820199e+03 2.08 1.172049261e+03 1.172049261e+03 2.10 9.879296036e+02 9.879296036e+02 2.12 8.341369774e+02 8.341369774e+02 2.14 7.054839530e+02 7.054839530e+02 2.16 5.977032429e+02 5.977032429e+02 2.18 5.072739098e+02 5.072739098e+02 2.20 4.312945449e+02 4.312945449e+02 2.22 3.673636638e+02 3.673636638e+02 2.24 3.134920048e+02 3.134920048e+02 2.26 2.680315511e+02 2.680315511e+02 2.28 2.296137433e+02 2.296137433e+02 2.30 1.971000813e+02 1.971000813e+02 2.32 1.695424383e+02 1.695424383e+02 2.34 1.461502841e+02 1.461502841e+02 2.36 1.262636519e+02 1.262636519e+02 2.38 1.093307699e+02 1.093307699e+02 2.40 9.488894882e+01 9.488894882e+01 2.42 8.255046892e+01 8.255046892e+01 2.44 7.199307069e+01 7.199307069e+01 2.46 6.294402317e+01 6.294402317e+01 2.48 5.517400628e+01 5.517400628e+01 2.50 4.849000497e+01 4.849000497e+01 2.52 4.272936125e+01 4.272936125e+01 2.54 3.775471195e+01 3.775471195e+01 2.56 3.345006313e+01 3.345006313e+01 2.58 2.971768776e+01 2.971768776e+01 2.60 2.647421600e+01 2.647421600e+01 2.62 2.364950943e+01 2.364950943e+01 2.64 2.118436647e+01 2.118436647e+01 2.66 1.902774084e+01 1.902774084e+01 2.68 1.713672659e+01 1.713672659e+01 2.70 1.547492671e+01 1.547492671e+01 2.72 1.401086929e+01 1.401086929e+01 2.74 1.271696303e+01 1.271696303e+01 2.76 1.157104829e+01 1.157104829e+01 2.78 1.055381008e+01 1.055381008e+01 2.80 9.648366577e+00 9.648366577e+00 2.82 8.840206022e+00 8.840206022e+00 2.84 8.116713054e+00 8.116713054e+00 2.86 7.466705952e+00 7.466705952e+00 2.88 6.881637884e+00 6.881637884e+00 2.90 6.353390611e+00 6.353390611e+00 2.92 5.874947968e+00 5.874947968e+00 2.94 5.440229783e+00 5.440229783e+00 2.96 5.043959978e+00 5.043959978e+00 2.98 4.681555678e+00 4.681555678e+00 3.00 4.349033056e+00 4.349033056e+00 3.02 4.042929055e+00 4.042929055e+00 3.04 3.760227732e+00 3.760227732e+00 3.06 3.498307100e+00 3.498307100e+00 3.08 3.254890184e+00 3.254890184e+00 3.10 3.027993320e+00 3.027993320e+00 3.12 2.815898216e+00 2.815898216e+00 3.14 2.617117697e+00 2.617117697e+00 3.16 2.430365918e+00 2.430365918e+00 3.18 2.254454215e+00 2.254454215e+00 3.20 2.088428550e+00 2.088428550e+00 3.22 1.931572112e+00 1.931572112e+00 3.24 1.783166372e+00 1.783166372e+00 3.26 1.642473949e+00 1.642473949e+00 3.28 1.509014273e+00 1.509014273e+00 3.30 1.382441898e+00 1.382441898e+00 3.32 1.262361705e+00 1.262361705e+00 3.34 1.148411185e+00 1.148411185e+00 3.36 1.040295566e+00 1.040295566e+00 3.38 9.377777663e-01 9.377777663e-01 3.40 8.406223385e-01 8.406223385e-01 3.42 7.486162023e-01 7.486162023e-01 3.44 6.615632652e-01 6.615632652e-01 3.46 5.792798745e-01 5.792798745e-01 3.48 5.015910010e-01 5.015910010e-01 3.50 4.278181879e-01 4.278181879e-01 3.52 3.583874351e-01 3.583874351e-01 3.54 2.931610858e-01 2.931610858e-01 3.56 2.319513599e-01 2.319513599e-01 3.58 1.745737289e-01 1.745737289e-01 3.60 1.208457369e-01 1.208457369e-01 3.62 7.058639293e-02 7.058639293e-02 3.64 2.361590979e-02 2.361590979e-02 3.66 -2.024425778e-02 -2.024425778e-02 3.68 -6.133897112e-02 -6.133897112e-02 3.70 -9.977962431e-02 -9.977962431e-02 3.72 -1.356493576e-01 -1.356493576e-01 3.74 -1.690528228e-01 -1.690528228e-01 3.76 -2.001443694e-01 -2.001443694e-01 3.78 -2.290949736e-01 -2.290949736e-01 3.80 -2.560676530e-01 -2.560676530e-01 3.82 -2.812169402e-01 -2.812169402e-01 3.84 -3.046884003e-01 -3.046884003e-01 3.86 -3.266182154e-01 -3.266182154e-01 3.88 -3.471328584e-01 -3.471328584e-01 3.90 -3.663555811e-01 -3.663555811e-01 3.92 -3.844220766e-01 -3.844220766e-01 3.94 -4.013866759e-01 -4.013866759e-01 3.96 -4.173365950e-01 -4.173365950e-01 3.98 -4.323494673e-01 -4.323494673e-01 4.00 -4.464935941e-01 -4.464935941e-01 4.02 -4.598283406e-01 -4.598283406e-01 4.04 -4.724047656e-01 -4.724047656e-01 4.06 -4.842660089e-01 -4.842660089e-01 4.08 -4.954486372e-01 -4.954486372e-01 4.10 -5.059829335e-01 -5.059829335e-01 4.12 -5.158935274e-01 -5.158935274e-01 4.14 -5.252002830e-01 -5.252002830e-01 4.16 -5.339190300e-01 -5.339190300e-01 4.18 -5.420622645e-01 -5.420622645e-01 4.20 -5.496398082e-01 -5.496398082e-01 4.22 -5.566594159e-01 -5.566594159e-01 4.24 -5.631273223e-01 -5.631273223e-01 4.26 -5.690487249e-01 -5.690487249e-01 4.28 -5.744393502e-01 -5.744393502e-01 4.30 -5.793015982e-01 -5.793015982e-01 4.32 -5.836273599e-01 -5.836273599e-01 4.34 -5.874212230e-01 -5.874212230e-01 4.36 -5.906886420e-01 -5.906886420e-01 4.38 -5.934354127e-01 -5.934354127e-01 4.40 -5.956677210e-01 -5.956677210e-01 4.42 -5.973922869e-01 -5.973922869e-01 4.44 -5.986163529e-01 -5.986163529e-01 4.46 -5.993476467e-01 -5.993476467e-01 4.48 -5.995943237e-01 -5.995943237e-01 4.50 -5.995383067e-01 -5.995383067e-01 4.52 -5.990386857e-01 -5.990386857e-01 4.54 -5.980372261e-01 -5.980372261e-01 4.56 -5.965506267e-01 -5.965506267e-01 4.58 -5.945945208e-01 -5.945945208e-01 4.60 -5.921835413e-01 -5.921835413e-01 4.62 -5.893313893e-01 -5.893313893e-01 4.64 -5.860509063e-01 -5.860509063e-01 4.66 -5.823541499e-01 -5.823541499e-01 4.68 -5.782524732e-01 -5.782524732e-01 4.70 -5.737566080e-01 -5.737566080e-01 4.72 -5.688781154e-01 -5.688781154e-01 4.74 -5.636253200e-01 -5.636253200e-01 4.76 -5.580074304e-01 -5.580074304e-01 4.78 -5.520336034e-01 -5.520336034e-01 4.80 -5.457128214e-01 -5.457128214e-01 4.82 -5.390539859e-01 -5.390539859e-01 4.84 -5.320660108e-01 -5.320660108e-01 4.86 -5.247579127e-01 -5.247579127e-01 4.88 -5.171389000e-01 -5.171389000e-01 4.90 -5.092184572e-01 -5.092184572e-01 4.92 -5.010064255e-01 -5.010064255e-01 4.94 -4.925130768e-01 -4.925130768e-01 4.96 -4.837491352e-01 -4.837491352e-01 4.98 -4.747257781e-01 -4.747257781e-01 5.00 -4.654551750e-01 -4.654551750e-01 5.02 -4.559499149e-01 -4.559499149e-01 5.04 -4.462232715e-01 -4.462232715e-01 5.06 -4.362892247e-01 -4.362892247e-01 5.08 -4.261624709e-01 -4.261624709e-01 5.10 -4.158584216e-01 -4.158584216e-01 5.12 -4.053931906e-01 -4.053931906e-01 5.14 -3.947835700e-01 -3.947835700e-01 5.16 -3.840469936e-01 -3.840469936e-01 5.18 -3.732014905e-01 -3.732014905e-01 5.20 -3.622656271e-01 -3.622656271e-01 5.22 -3.512584394e-01 -3.512584394e-01 5.24 -3.401998010e-01 -3.401998010e-01 5.26 -3.291176549e-01 -3.291176549e-01 5.28 -3.180217252e-01 -3.180217252e-01 5.30 -3.069323378e-01 -3.069323378e-01 5.32 -2.958697583e-01 -2.958697583e-01 5.34 -2.848541402e-01 -2.848541402e-01 5.36 -2.739054195e-01 -2.739054195e-01 5.38 -2.630432079e-01 -2.630432079e-01 5.40 -2.522866878e-01 -2.522866878e-01 5.42 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