# 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 = Br2LiNa # 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 1.522898409e+05 1.522898409e+05 1.28 1.210981326e+05 1.210981326e+05 1.30 9.662489817e+04 9.662489817e+04 1.32 7.735331074e+04 7.735331074e+04 1.34 6.212422289e+04 6.212422289e+04 1.36 5.004864760e+04 5.004864760e+04 1.38 4.044187349e+04 4.044187349e+04 1.40 3.277448996e+04 3.277448996e+04 1.42 2.663615344e+04 2.663615344e+04 1.44 2.170697441e+04 2.170697441e+04 1.46 1.773717631e+04 1.773717631e+04 1.48 1.453104654e+04 1.453104654e+04 1.50 1.193439890e+04 1.193439890e+04 1.52 9.825747088e+03 9.825747088e+03 1.54 8.108983272e+03 8.108983272e+03 1.56 6.707741503e+03 6.707741503e+03 1.58 5.561145479e+03 5.561145479e+03 1.60 4.620671857e+03 4.620671857e+03 1.62 3.847490895e+03 3.847490895e+03 1.64 3.210394411e+03 3.210394411e+03 1.66 2.684244235e+03 2.684244235e+03 1.68 2.248768670e+03 2.248768670e+03 1.70 1.887571958e+03 1.887571958e+03 1.72 1.587394104e+03 1.587394104e+03 1.74 1.337413661e+03 1.337413661e+03 1.76 1.128826509e+03 1.128826509e+03 1.78 9.544434699e+02 9.544434699e+02 1.80 8.083801440e+02 8.083801440e+02 1.82 6.858047221e+02 6.858047221e+02 1.84 5.827898338e+02 5.827898338e+02 1.86 4.960373596e+02 4.960373596e+02 1.88 4.228542747e+02 4.228542747e+02 1.90 3.610126512e+02 3.610126512e+02 1.92 3.086695063e+02 3.086695063e+02 1.94 2.642936833e+02 2.642936833e+02 1.96 2.266162136e+02 2.266162136e+02 1.98 1.945765866e+02 1.945765866e+02 2.00 1.672822223e+02 1.672822223e+02 2.02 1.439955377e+02 1.439955377e+02 2.04 1.240983670e+02 1.240983670e+02 2.06 1.070677435e+02 1.070677435e+02 2.08 9.246958043e+01 9.246958043e+01 2.10 7.993934933e+01 7.993934933e+01 2.12 6.916731943e+01 6.916731943e+01 2.14 5.989479478e+01 5.989479478e+01 2.16 5.189966385e+01 5.189966385e+01 2.18 4.499339805e+01 4.499339805e+01 2.20 3.901731610e+01 3.901731610e+01 2.22 3.384000547e+01 3.384000547e+01 2.24 2.934762824e+01 2.934762824e+01 2.26 2.544392833e+01 2.544392833e+01 2.28 2.204587291e+01 2.204587291e+01 2.30 1.908311562e+01 1.908311562e+01 2.32 1.649594109e+01 1.649594109e+01 2.34 1.423325630e+01 1.423325630e+01 2.36 1.225146191e+01 1.225146191e+01 2.38 1.051555149e+01 1.051555149e+01 2.40 8.990325862e+00 8.990325862e+00 2.42 7.648240779e+00 7.648240779e+00 2.44 6.464835490e+00 6.464835490e+00 2.46 5.420234446e+00 5.420234446e+00 2.48 4.497733093e+00 4.497733093e+00 2.50 3.681632288e+00 3.681632288e+00 2.52 2.959820122e+00 2.959820122e+00 2.54 2.320904183e+00 2.320904183e+00 2.56 1.754964904e+00 1.754964904e+00 2.58 1.253543591e+00 1.253543591e+00 2.60 8.091826121e-01 8.091826121e-01 2.62 4.153781941e-01 4.153781941e-01 2.64 6.642002216e-02 6.642002216e-02 2.66 -2.426331329e-01 -2.426331329e-01 2.68 -5.167291243e-01 -5.167291243e-01 2.70 -7.588515548e-01 -7.588515548e-01 2.72 -9.737575406e-01 -9.737575406e-01 2.74 -1.162985932e+00 -1.162985932e+00 2.76 -1.329160758e+00 -1.329160758e+00 2.78 -1.474773611e+00 -1.474773611e+00 2.80 -1.601978539e+00 -1.601978539e+00 2.82 -1.712669112e+00 -1.712669112e+00 2.84 -1.808505637e+00 -1.808505637e+00 2.86 -1.890993902e+00 -1.890993902e+00 2.88 -1.961472716e+00 -1.961472716e+00 2.90 -2.021138155e+00 -2.021138155e+00 2.92 -2.071059363e+00 -2.071059363e+00 2.94 -2.112192274e+00 -2.112192274e+00 2.96 -2.145558139e+00 -2.145558139e+00 2.98 -2.171944302e+00 -2.171944302e+00 3.00 -2.191868429e+00 -2.191868429e+00 3.02 -2.205794737e+00 -2.205794737e+00 3.04 -2.214317836e+00 -2.214317836e+00 3.06 -2.217953584e+00 -2.217953584e+00 3.08 -2.217145555e+00 -2.217145555e+00 3.10 -2.212292930e+00 -2.212292930e+00 3.12 -2.203752642e+00 -2.203752642e+00 3.14 -2.191926617e+00 -2.191926617e+00 3.16 -2.177048568e+00 -2.177048568e+00 3.18 -2.159334171e+00 -2.159334171e+00 3.20 -2.139030824e+00 -2.139030824e+00 3.22 -2.116397727e+00 -2.116397727e+00 3.24 -2.091622887e+00 -2.091622887e+00 3.26 -2.064891513e+00 -2.064891513e+00 3.28 -2.036390649e+00 -2.036390649e+00 3.30 -2.006297794e+00 -2.006297794e+00 3.32 -1.974782364e+00 -1.974782364e+00 3.34 -1.942012417e+00 -1.942012417e+00 3.36 -1.908146529e+00 -1.908146529e+00 3.38 -1.873318705e+00 -1.873318705e+00 3.40 -1.837681001e+00 -1.837681001e+00 3.42 -1.801373285e+00 -1.801373285e+00 3.44 -1.764588764e+00 -1.764588764e+00 3.46 -1.727487677e+00 -1.727487677e+00 3.48 -1.690060378e+00 -1.690060378e+00 3.50 -1.652430392e+00 -1.652430392e+00 3.52 -1.614712635e+00 -1.614712635e+00 3.54 -1.577013253e+00 -1.577013253e+00 3.56 -1.539429493e+00 -1.539429493e+00 3.58 -1.502049616e+00 -1.502049616e+00 3.60 -1.464952884e+00 -1.464952884e+00 3.62 -1.428209577e+00 -1.428209577e+00 3.64 -1.391879845e+00 -1.391879845e+00 3.66 -1.356018289e+00 -1.356018289e+00 3.68 -1.320669567e+00 -1.320669567e+00 3.70 -1.285870491e+00 -1.285870491e+00 3.72 -1.251731088e+00 -1.251731088e+00 3.74 -1.218197249e+00 -1.218197249e+00 3.76 -1.185264401e+00 -1.185264401e+00 3.78 -1.152946002e+00 -1.152946002e+00 3.80 -1.121250194e+00 -1.121250194e+00 3.82 -1.090180500e+00 -1.090180500e+00 3.84 -1.059736527e+00 -1.059736527e+00 3.86 -1.029914630e+00 -1.029914630e+00 3.88 -1.000717028e+00 -1.000717028e+00 3.90 -9.721795083e-01 -9.721795083e-01 3.92 -9.442306665e-01 -9.442306665e-01 3.94 -9.168608236e-01 -9.168608236e-01 3.96 -8.900708679e-01 -8.900708679e-01 3.98 -8.638851947e-01 -8.638851947e-01 4.00 -8.382350734e-01 -8.382350734e-01 4.02 -8.131118042e-01 -8.131118042e-01 4.04 -7.885068395e-01 -7.885068395e-01 4.06 -7.644119278e-01 -7.644119278e-01 4.08 -7.408192070e-01 -7.408192070e-01 4.10 -7.177212547e-01 -7.177212547e-01 4.12 -6.951111006e-01 -6.951111006e-01 4.14 -6.729822086e-01 -6.729822086e-01 4.16 -6.513284362e-01 -6.513284362e-01 4.18 -6.301439763e-01 -6.301439763e-01 4.20 -6.094232882e-01 -6.094232882e-01 4.22 -5.893232112e-01 -5.893232112e-01 4.24 -5.696928173e-01 -5.696928173e-01 4.26 -5.504706480e-01 -5.504706480e-01 4.28 -5.316584283e-01 -5.316584283e-01 4.30 -5.132567750e-01 -5.132567750e-01 4.32 -4.952652720e-01 -4.952652720e-01 4.34 -4.776822579e-01 -4.776822579e-01 4.36 -4.605057186e-01 -4.605057186e-01 4.38 -4.437327481e-01 -4.437327481e-01 4.40 -4.273596246e-01 -4.273596246e-01 4.42 -4.113820229e-01 -4.113820229e-01 4.44 -3.957951056e-01 -3.957951056e-01 4.46 -3.805936145e-01 -3.805936145e-01 4.48 -3.657719598e-01 -3.657719598e-01 4.50 -3.513243079e-01 -3.513243079e-01 4.52 -3.372446654e-01 -3.372446654e-01 4.54 -3.235269582e-01 -3.235269582e-01 4.56 -3.101645730e-01 -3.101645730e-01 4.58 -2.971520892e-01 -2.971520892e-01 4.60 -2.844836250e-01 -2.844836250e-01 4.62 -2.721534676e-01 -2.721534676e-01 4.64 -2.601561326e-01 -2.601561326e-01 4.66 -2.484864014e-01 -2.484864014e-01 4.68 -2.371393510e-01 -2.371393510e-01 4.70 -2.261103743e-01 -2.261103743e-01 4.72 -2.153951922e-01 -2.153951922e-01 4.74 -2.049898556e-01 -2.049898556e-01 4.76 -1.948926917e-01 -1.948926917e-01 4.78 -1.851196270e-01 -1.851196270e-01 4.80 -1.756424167e-01 -1.756424167e-01 4.82 -1.664588546e-01 -1.664588546e-01 4.84 -1.575668940e-01 -1.575668940e-01 4.86 -1.489646160e-01 -1.489646160e-01 4.88 -1.406501924e-01 -1.406501924e-01 4.90 -1.326218446e-01 -1.326218446e-01 4.92 -1.248778002e-01 -1.248778002e-01 4.94 -1.174162474e-01 -1.174162474e-01 4.96 -1.102352894e-01 -1.102352894e-01 4.98 -1.033328984e-01 -1.033328984e-01 5.00 -9.670687230e-02 -9.670687230e-02 5.02 -9.035479249e-02 -9.035479249e-02 5.04 -8.427398582e-02 -8.427398582e-02 5.06 -7.846149006e-02 -7.846149006e-02 5.08 -7.291402421e-02 -7.291402421e-02 5.10 -6.762796386e-02 -6.762796386e-02 5.12 -6.259932207e-02 -6.259932207e-02 5.14 -5.782373622e-02 -5.782373622e-02 5.16 -5.329650186e-02 -5.329650186e-02 5.18 -4.928636540e-02 -4.928636540e-02 5.20 -4.552926783e-02 -4.552926783e-02 5.22 -4.197130192e-02 -4.197130192e-02 5.24 -3.860921102e-02 -3.860921102e-02 5.26 -3.543918081e-02 -3.543918081e-02 5.28 -3.245687694e-02 -3.245687694e-02 5.30 -2.965748645e-02 -2.965748645e-02 5.32 -2.703576244e-02 -2.703576244e-02 5.34 -2.458607126e-02 -2.458607126e-02 5.36 -2.230244157e-02 -2.230244157e-02 5.38 -2.017861452e-02 -2.017861452e-02 5.40 -1.820809451e-02 -1.820809451e-02 5.42 -1.639320579e-02 -1.639320579e-02 5.44 -1.476395161e-02 -1.476395161e-02 5.46 -1.325981629e-02 -1.325981629e-02 5.48 -1.187471032e-02 -1.187471032e-02 5.50 -1.060247981e-02 -1.060247981e-02 5.52 -9.436939394e-03 -9.436939394e-03 5.54 -8.371916681e-03 -8.371916681e-03 5.56 -7.401293103e-03 -7.401293103e-03 5.58 -6.519041110e-03 -6.519041110e-03 5.60 -5.719257499e-03 -5.719257499e-03 5.62 -4.996192820e-03 -4.996192820e-03 5.64 -4.344276825e-03 -4.344276825e-03 5.66 -3.758140031e-03 -3.758140031e-03 5.68 -3.232631471e-03 -3.232631471e-03 5.70 -2.762832781e-03 -2.762832781e-03 5.72 -2.344068811e-03 -2.344068811e-03 5.74 -1.971914959e-03 -1.971914959e-03 5.76 -1.642201471e-03 -1.642201471e-03 5.78 -1.351014973e-03 -1.351014973e-03 5.80 -1.094697491e-03 -1.094697491e-03 5.82 -8.698432424e-04 -8.698432424e-04 5.84 -6.732934800e-04 -6.732934800e-04 5.86 -5.021296614e-04 -5.021296614e-04 5.88 -3.536652101e-04 -3.536652101e-04 5.90 -2.254361281e-04 -2.254361281e-04 5.92 -1.151907037e-04 -1.151907037e-04 5.94 -2.087853937e-05 -2.087853937e-05 5.96 8.432494365e-06 8.432494365e-06 5.98 8.015954999e-06 8.015954999e-06 6.00 7.599753435e-06 7.599753435e-06