# 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 = IdLiRb2 # 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 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 4.095526403e+06 4.095526403e+06 1.42 3.302662061e+06 3.302662061e+06 1.44 2.671220221e+06 2.671220221e+06 1.46 2.166751057e+06 2.166751057e+06 1.48 1.762488316e+06 1.762488316e+06 1.50 1.437562936e+06 1.437562936e+06 1.52 1.175649413e+06 1.175649413e+06 1.54 9.639335948e+05 9.639335948e+05 1.56 7.923262549e+05 7.923262549e+05 1.58 6.528584451e+05 6.528584451e+05 1.60 5.392169250e+05 5.392169250e+05 1.62 4.463855021e+05 4.463855021e+05 1.64 3.703668300e+05 3.703668300e+05 1.66 3.079668104e+05 3.079668104e+05 1.68 2.566261567e+05 2.566261567e+05 1.70 2.142885610e+05 2.142885610e+05 1.72 1.792977939e+05 1.792977939e+05 1.74 1.503164548e+05 1.503164548e+05 1.76 1.262617667e+05 1.262617667e+05 1.78 1.062551151e+05 1.062551151e+05 1.80 8.958185896e+04 8.958185896e+04 1.82 7.565939647e+04 7.565939647e+04 1.84 6.401161877e+04 6.401161877e+04 1.86 5.424867429e+04 5.424867429e+04 1.88 4.605064432e+04 4.605064432e+04 1.90 3.915446437e+04 3.915446437e+04 1.92 3.334327410e+04 3.334327410e+04 1.94 2.843804567e+04 2.843804567e+04 1.96 2.429066808e+04 2.429066808e+04 1.98 2.077836507e+04 2.077836507e+04 2.00 1.779920050e+04 1.779920050e+04 2.02 1.526831451e+04 1.526831451e+04 2.04 1.311500136e+04 1.311500136e+04 2.06 1.128022273e+04 1.128022273e+04 2.08 9.714598459e+03 9.714598459e+03 2.10 8.376758409e+03 8.376758409e+03 2.12 7.231985543e+03 7.231985543e+03 2.14 6.251089803e+03 6.251089803e+03 2.16 5.409501384e+03 5.409501384e+03 2.18 4.686504657e+03 4.686504657e+03 2.20 4.064604093e+03 4.064604093e+03 2.22 3.529003212e+03 3.529003212e+03 2.24 3.067174036e+03 3.067174036e+03 2.26 2.668486470e+03 2.668486470e+03 2.28 2.323904555e+03 2.323904555e+03 2.30 2.025749495e+03 2.025749495e+03 2.32 1.767481310e+03 1.767481310e+03 2.34 1.543522717e+03 1.543522717e+03 2.36 1.349111157e+03 1.349111157e+03 2.38 1.180173473e+03 1.180173473e+03 2.40 1.033225211e+03 1.033225211e+03 2.42 9.052825632e+02 9.052825632e+02 2.44 7.937771079e+02 7.937771079e+02 2.46 6.965060188e+02 6.965060188e+02 2.48 6.115745209e+02 6.115745209e+02 2.50 5.373515607e+02 5.373515607e+02 2.52 4.724309432e+02 4.724309432e+02 2.54 4.155988957e+02 4.155988957e+02 2.56 3.658069068e+02 3.658069068e+02 2.58 3.221480932e+02 3.221480932e+02 2.60 2.838368783e+02 2.838368783e+02 2.62 2.501933343e+02 2.501933343e+02 2.64 2.206279470e+02 2.206279470e+02 2.66 1.946272090e+02 1.946272090e+02 2.68 1.717452978e+02 1.717452978e+02 2.70 1.515951050e+02 1.515951050e+02 2.72 1.338390705e+02 1.338390705e+02 2.74 1.181829837e+02 1.181829837e+02 2.76 1.043701903e+02 1.043701903e+02 2.78 9.217660398e+01 9.217660398e+01 2.80 8.140640838e+01 8.140640838e+01 2.82 7.188834759e+01 7.188834759e+01 2.84 6.347245252e+01 6.347245252e+01 2.86 5.602721425e+01 5.602721425e+01 2.88 4.943807499e+01 4.943807499e+01 2.90 4.360391214e+01 4.360391214e+01 2.92 3.843671260e+01 3.843671260e+01 2.94 3.385768554e+01 3.385768554e+01 2.96 2.979838046e+01 2.979838046e+01 2.98 2.619857935e+01 2.619857935e+01 3.00 2.300527206e+01 2.300527206e+01 3.02 2.017176860e+01 2.017176860e+01 3.04 1.765690917e+01 1.765690917e+01 3.06 1.542439370e+01 1.542439370e+01 3.08 1.344219283e+01 1.344219283e+01 3.10 1.168202614e+01 1.168202614e+01 3.12 1.011891080e+01 1.011891080e+01 3.14 8.730772791e+00 8.730772791e+00 3.16 7.498078464e+00 7.498078464e+00 3.18 6.403332231e+00 6.403332231e+00 3.20 5.431316118e+00 5.431316118e+00 3.22 4.568681641e+00 4.568681641e+00 3.24 3.803428090e+00 3.803428090e+00 3.26 3.124899242e+00 3.124899242e+00 3.28 2.523642628e+00 2.523642628e+00 3.30 1.991268179e+00 1.991268179e+00 3.32 1.520437132e+00 1.520437132e+00 3.34 1.104354701e+00 1.104354701e+00 3.36 7.371871468e-01 7.371871468e-01 3.38 4.136968471e-01 4.136968471e-01 3.40 1.292196105e-01 1.292196105e-01 3.42 -1.204014659e-01 -1.204014659e-01 3.44 -3.388743452e-01 -3.388743452e-01 3.46 -5.295095243e-01 -5.295095243e-01 3.48 -6.952654320e-01 -6.952654320e-01 3.50 -8.389438095e-01 -8.389438095e-01 3.52 -9.629293142e-01 -9.629293142e-01 3.54 -1.069097330e+00 -1.069097330e+00 3.56 -1.159370132e+00 -1.159370132e+00 3.58 -1.235471093e+00 -1.235471093e+00 3.60 -1.298948689e+00 -1.298948689e+00 3.62 -1.351195418e+00 -1.351195418e+00 3.64 -1.393464428e+00 -1.393464428e+00 3.66 -1.426884153e+00 -1.426884153e+00 3.68 -1.452561657e+00 -1.452561657e+00 3.70 -1.471312136e+00 -1.471312136e+00 3.72 -1.484033293e+00 -1.484033293e+00 3.74 -1.491394363e+00 -1.491394363e+00 3.76 -1.494046945e+00 -1.494046945e+00 3.78 -1.492598758e+00 -1.492598758e+00 3.80 -1.487595481e+00 -1.487595481e+00 3.82 -1.479526286e+00 -1.479526286e+00 3.84 -1.468828806e+00 -1.468828806e+00 3.86 -1.455893610e+00 -1.455893610e+00 3.88 -1.441068263e+00 -1.441068263e+00 3.90 -1.424661027e+00 -1.424661027e+00 3.92 -1.406944269e+00 -1.406944269e+00 3.94 -1.388154382e+00 -1.388154382e+00 3.96 -1.368497353e+00 -1.368497353e+00 3.98 -1.348164139e+00 -1.348164139e+00 4.00 -1.327313437e+00 -1.327313437e+00 4.02 -1.306080861e+00 -1.306080861e+00 4.04 -1.284582045e+00 -1.284582045e+00 4.06 -1.262914541e+00 -1.262914541e+00 4.08 -1.241161069e+00 -1.241161069e+00 4.10 -1.219393434e+00 -1.219393434e+00 4.12 -1.197665534e+00 -1.197665534e+00 4.14 -1.176019727e+00 -1.176019727e+00 4.16 -1.154492134e+00 -1.154492134e+00 4.18 -1.133110962e+00 -1.133110962e+00 4.20 -1.111897711e+00 -1.111897711e+00 4.22 -1.090868263e+00 -1.090868263e+00 4.24 -1.070033850e+00 -1.070033850e+00 4.26 -1.049401906e+00 -1.049401906e+00 4.28 -1.028976821e+00 -1.028976821e+00 4.30 -1.008760578e+00 -1.008760578e+00 4.32 -9.887533098e-01 -9.887533098e-01 4.34 -9.689536595e-01 -9.689536595e-01 4.36 -9.493594394e-01 -9.493594394e-01 4.38 -9.299677324e-01 -9.299677324e-01 4.40 -9.107751397e-01 -9.107751397e-01 4.42 -8.917780208e-01 -8.917780208e-01 4.44 -8.729726458e-01 -8.729726458e-01 4.46 -8.543553100e-01 -8.543553100e-01 4.48 -8.359224168e-01 -8.359224168e-01 4.50 -8.178516933e-01 -8.178516933e-01 4.52 -7.999851511e-01 -7.999851511e-01 4.54 -7.822504836e-01 -7.822504836e-01 4.56 -7.646574506e-01 -7.646574506e-01 4.58 -7.472021004e-01 -7.472021004e-01 4.60 -7.298878333e-01 -7.298878333e-01 4.62 -7.127174519e-01 -7.127174519e-01 4.64 -6.956932722e-01 -6.956932722e-01 4.66 -6.788172249e-01 -6.788172249e-01 4.68 -6.620909496e-01 -6.620909496e-01 4.70 -6.455158814e-01 -6.455158814e-01 4.72 -6.290933309e-01 -6.290933309e-01 4.74 -6.128245572e-01 -6.128245572e-01 4.76 -5.967108337e-01 -5.967108337e-01 4.78 -5.807535076e-01 -5.807535076e-01 4.80 -5.649540520e-01 -5.649540520e-01 4.82 -5.493141122e-01 -5.493141122e-01 4.84 -5.338355441e-01 -5.338355441e-01 4.86 -5.185204469e-01 -5.185204469e-01 4.88 -5.033711887e-01 -5.033711887e-01 4.90 -4.883904254e-01 -4.883904254e-01 4.92 -4.735811137e-01 -4.735811137e-01 4.94 -4.589465167e-01 -4.589465167e-01 4.96 -4.444896695e-01 -4.444896695e-01 4.98 -4.302134957e-01 -4.302134957e-01 5.00 -4.161239031e-01 -4.161239031e-01 5.02 -4.022252964e-01 -4.022252964e-01 5.04 -3.885223326e-01 -3.885223326e-01 5.06 -3.750198943e-01 -3.750198943e-01 5.08 -3.617230585e-01 -3.617230585e-01 5.10 -3.486370610e-01 -3.486370610e-01 5.12 -3.357672583e-01 -3.357672583e-01 5.14 -3.231190868e-01 -3.231190868e-01 5.16 -3.106980188e-01 -3.106980188e-01 5.18 -2.985092354e-01 -2.985092354e-01 5.20 -2.865581690e-01 -2.865581690e-01 5.22 -2.748504634e-01 -2.748504634e-01 5.24 -2.633912706e-01 -2.633912706e-01 5.26 -2.521855493e-01 -2.521855493e-01 5.28 -2.412380197e-01 -2.412380197e-01 5.30 -2.305531201e-01 -2.305531201e-01 5.32 -2.201349667e-01 -2.201349667e-01 5.34 -2.099873139e-01 -2.099873139e-01 5.36 -2.001135199e-01 -2.001135199e-01 5.38 -1.905165135e-01 -1.905165135e-01 5.40 -1.811987661e-01 -1.811987661e-01 5.42 -1.721622665e-01 -1.721622665e-01 5.44 -1.634085005e-01 -1.634085005e-01 5.46 -1.549384345e-01 -1.549384345e-01 5.48 -1.467525028e-01 -1.467525028e-01 5.50 -1.388506004e-01 -1.388506004e-01 5.52 -1.312320792e-01 -1.312320792e-01 5.54 -1.238962954e-01 -1.238962954e-01 5.56 -1.168409978e-01 -1.168409978e-01 5.58 -1.100638143e-01 -1.100638143e-01 5.60 -1.035619818e-01 -1.035619818e-01 5.62 -9.733223630e-02 -9.733223630e-02 5.64 -9.137083199e-02 -9.137083199e-02 5.66 -8.567356409e-02 -8.567356409e-02 5.68 -8.023579366e-02 -8.023579366e-02 5.70 -7.505247499e-02 -7.505247499e-02 5.72 -7.011818500e-02 -7.011818500e-02 5.74 -6.542715414e-02 -6.542715414e-02 5.76 -6.097329875e-02 -6.097329875e-02 5.78 -5.675025417e-02 -5.675025417e-02 5.80 -5.275140865e-02 -5.275140865e-02 5.82 -4.896993735e-02 -4.896993735e-02 5.84 -4.539883653e-02 -4.539883653e-02 5.86 -4.203095721e-02 -4.203095721e-02 5.88 -3.885903845e-02 -3.885903845e-02 5.90 -3.587573963e-02 -3.587573963e-02 5.92 -3.307367182e-02 -3.307367182e-02 5.94 -3.044542780e-02 -3.044542780e-02 5.96 -2.798361072e-02 -2.798361072e-02 5.98 -2.568086116e-02 -2.568086116e-02 6.00 -2.352988253e-02 -2.352988253e-02