# 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 = FLi2Na # 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 2.174780438e+03 2.174780438e+03 1.18 1.739862977e+03 1.739862977e+03 1.20 1.398437045e+03 1.398437045e+03 1.22 1.129290675e+03 1.129290675e+03 1.24 9.160724215e+02 9.160724215e+02 1.26 7.465122671e+02 7.465122671e+02 1.28 6.111961096e+02 6.111961096e+02 1.30 5.027579368e+02 5.027579368e+02 1.32 4.154647453e+02 4.154647453e+02 1.34 3.448621170e+02 3.448621170e+02 1.36 2.876084140e+02 2.876084140e+02 1.38 2.409967442e+02 2.409967442e+02 1.40 2.028917439e+02 2.028917439e+02 1.42 1.716139590e+02 1.716139590e+02 1.44 1.458317320e+02 1.458317320e+02 1.46 1.244849514e+02 1.244849514e+02 1.48 1.067510949e+02 1.067510949e+02 1.50 9.195744650e+01 9.195744650e+01 1.52 7.955551410e+01 7.955551410e+01 1.54 6.912583276e+01 6.912583276e+01 1.56 6.031903229e+01 6.031903229e+01 1.58 5.285105967e+01 5.285105967e+01 1.60 4.647979718e+01 4.647979718e+01 1.62 4.102240348e+01 4.102240348e+01 1.64 3.633626114e+01 3.633626114e+01 1.66 3.229609461e+01 3.229609461e+01 1.68 2.879881874e+01 2.879881874e+01 1.70 2.576073761e+01 2.576073761e+01 1.72 2.310998112e+01 2.310998112e+01 1.74 2.078695354e+01 2.078695354e+01 1.76 1.874011309e+01 1.874011309e+01 1.78 1.693025908e+01 1.693025908e+01 1.80 1.532300112e+01 1.532300112e+01 1.82 1.388335943e+01 1.388335943e+01 1.84 1.259149164e+01 1.259149164e+01 1.86 1.143010756e+01 1.143010756e+01 1.88 1.038292330e+01 1.038292330e+01 1.90 9.435061298e+00 9.435061298e+00 1.92 8.573812014e+00 8.573812014e+00 1.94 7.788516028e+00 7.788516028e+00 1.96 7.070102108e+00 7.070102108e+00 1.98 6.410928851e+00 6.410928851e+00 2.00 5.804483604e+00 5.804483604e+00 2.02 5.245435244e+00 5.245435244e+00 2.04 4.729125491e+00 4.729125491e+00 2.06 4.251566853e+00 4.251566853e+00 2.08 3.809283574e+00 3.809283574e+00 2.10 3.398758436e+00 3.398758436e+00 2.12 3.017986216e+00 3.017986216e+00 2.14 2.664497704e+00 2.664497704e+00 2.16 2.335891798e+00 2.335891798e+00 2.18 2.030391767e+00 2.030391767e+00 2.20 1.747375913e+00 1.747375913e+00 2.22 1.485496370e+00 1.485496370e+00 2.24 1.243190518e+00 1.243190518e+00 2.26 1.019166184e+00 1.019166184e+00 2.28 8.123179047e-01 8.123179047e-01 2.30 6.216104247e-01 6.216104247e-01 2.32 4.461973945e-01 4.461973945e-01 2.34 2.851672924e-01 2.851672924e-01 2.36 1.369489800e-01 1.369489800e-01 2.38 1.356602126e-03 1.356602126e-03 2.40 -1.222001034e-01 -1.222001034e-01 2.42 -2.346267782e-01 -2.346267782e-01 2.44 -3.368515453e-01 -3.368515453e-01 2.46 -4.292458420e-01 -4.292458420e-01 2.48 -5.125020955e-01 -5.125020955e-01 2.50 -5.876098825e-01 -5.876098825e-01 2.52 -6.548620857e-01 -6.548620857e-01 2.54 -7.147323490e-01 -7.147323490e-01 2.56 -7.678010517e-01 -7.678010517e-01 2.58 -8.146118419e-01 -8.146118419e-01 2.60 -8.556733631e-01 -8.556733631e-01 2.62 -8.915460561e-01 -8.915460561e-01 2.64 -9.226976853e-01 -9.226976853e-01 2.66 -9.493760140e-01 -9.493760140e-01 2.68 -9.719776007e-01 -9.719776007e-01 2.70 -9.908686039e-01 -9.908686039e-01 2.72 -1.006387142e+00 -1.006387142e+00 2.74 -1.018844751e+00 -1.018844751e+00 2.76 -1.028528259e+00 -1.028528259e+00 2.78 -1.035705077e+00 -1.035705077e+00 2.80 -1.040625563e+00 -1.040625563e+00 2.82 -1.043544590e+00 -1.043544590e+00 2.84 -1.044682704e+00 -1.044682704e+00 2.86 -1.044359400e+00 -1.044359400e+00 2.88 -1.042577396e+00 -1.042577396e+00 2.90 -1.039470870e+00 -1.039470870e+00 2.92 -1.035192873e+00 -1.035192873e+00 2.94 -1.029893810e+00 -1.029893810e+00 2.96 -1.023713151e+00 -1.023713151e+00 2.98 -1.016780119e+00 -1.016780119e+00 3.00 -1.009214226e+00 -1.009214226e+00 3.02 -1.001125674e+00 -1.001125674e+00 3.04 -9.927429615e-01 -9.927429615e-01 3.06 -9.840331394e-01 -9.840331394e-01 3.08 -9.750456107e-01 -9.750456107e-01 3.10 -9.658621376e-01 -9.658621376e-01 3.12 -9.565582702e-01 -9.565582702e-01 3.14 -9.472230746e-01 -9.472230746e-01 3.16 -9.378736956e-01 -9.378736956e-01 3.18 -9.285557657e-01 -9.285557657e-01 3.20 -9.193065032e-01 -9.193065032e-01 3.22 -9.101549098e-01 -9.101549098e-01 3.24 -9.011226580e-01 -9.011226580e-01 3.26 -8.922245616e-01 -8.922245616e-01 3.28 -8.837165603e-01 -8.837165603e-01 3.30 -8.754036119e-01 -8.754036119e-01 3.32 -8.671612128e-01 -8.671612128e-01 3.34 -8.589948176e-01 -8.589948176e-01 3.36 -8.509038836e-01 -8.509038836e-01 3.38 -8.428828191e-01 -8.428828191e-01 3.40 -8.349218994e-01 -8.349218994e-01 3.42 -8.270081386e-01 -8.270081386e-01 3.44 -8.191261060e-01 -8.191261060e-01 3.46 -8.112586784e-01 -8.112586784e-01 3.48 -8.033877232e-01 -8.033877232e-01 3.50 -7.954947062e-01 -7.954947062e-01 3.52 -7.875612233e-01 -7.875612233e-01 3.54 -7.795693632e-01 -7.795693632e-01 3.56 -7.715022626e-01 -7.715022626e-01 3.58 -7.633444866e-01 -7.633444866e-01 3.60 -7.550819653e-01 -7.550819653e-01 3.62 -7.467023213e-01 -7.467023213e-01 3.64 -7.381949899e-01 -7.381949899e-01 3.66 -7.295512884e-01 -7.295512884e-01 3.68 -7.207667075e-01 -7.207667075e-01 3.70 -7.119601436e-01 -7.119601436e-01 3.72 -7.031373316e-01 -7.031373316e-01 3.74 -6.941476677e-01 -6.941476677e-01 3.76 -6.849535908e-01 -6.849535908e-01 3.78 -6.755658124e-01 -6.755658124e-01 3.80 -6.659946805e-01 -6.659946805e-01 3.82 -6.562520312e-01 -6.562520312e-01 3.84 -6.463492314e-01 -6.463492314e-01 3.86 -6.362978390e-01 -6.362978390e-01 3.88 -6.261095959e-01 -6.261095959e-01 3.90 -6.158222590e-01 -6.158222590e-01 3.92 -6.055604739e-01 -6.055604739e-01 3.94 -5.951740158e-01 -5.951740158e-01 3.96 -5.846890913e-01 -5.846890913e-01 3.98 -5.741554197e-01 -5.741554197e-01 4.00 -5.635292748e-01 -5.635292748e-01 4.02 -5.528263824e-01 -5.528263824e-01 4.04 -5.420618418e-01 -5.420618418e-01 4.06 -5.312501248e-01 -5.312501248e-01 4.08 -5.204050750e-01 -5.204050750e-01 4.10 -5.095399073e-01 -5.095399073e-01 4.12 -4.986672079e-01 -4.986672079e-01 4.14 -4.877989365e-01 -4.877989365e-01 4.16 -4.769464287e-01 -4.769464287e-01 4.18 -4.661204012e-01 -4.661204012e-01 4.20 -4.553309585e-01 -4.553309585e-01 4.22 -4.445876022e-01 -4.445876022e-01 4.24 -4.338992416e-01 -4.338992416e-01 4.26 -4.232742080e-01 -4.232742080e-01 4.28 -4.127202701e-01 -4.127202701e-01 4.30 -4.022446523e-01 -4.022446523e-01 4.32 -3.918540074e-01 -3.918540074e-01 4.34 -3.815545647e-01 -3.815545647e-01 4.36 -3.713520724e-01 -3.713520724e-01 4.38 -3.612518050e-01 -3.612518050e-01 4.40 -3.512586027e-01 -3.512586027e-01 4.42 -3.413769089e-01 -3.413769089e-01 4.44 -3.316107980e-01 -3.316107980e-01 4.46 -3.219640050e-01 -3.219640050e-01 4.48 -3.124399535e-01 -3.124399535e-01 4.50 -3.030418429e-01 -3.030418429e-01 4.52 -2.938232281e-01 -2.938232281e-01 4.54 -2.847296550e-01 -2.847296550e-01 4.56 -2.757641649e-01 -2.757641649e-01 4.58 -2.669296510e-01 -2.669296510e-01 4.60 -2.582287809e-01 -2.582287809e-01 4.62 -2.496640379e-01 -2.496640379e-01 4.64 -2.412377436e-01 -2.412377436e-01 4.66 -2.329520780e-01 -2.329520780e-01 4.68 -2.248090961e-01 -2.248090961e-01 4.70 -2.168107434e-01 -2.168107434e-01 4.72 -2.089588666e-01 -2.089588666e-01 4.74 -2.012552242e-01 -2.012552242e-01 4.76 -1.937014920e-01 -1.937014920e-01 4.78 -1.862992683e-01 -1.862992683e-01 4.80 -1.790500751e-01 -1.790500751e-01 4.82 -1.719553578e-01 -1.719553578e-01 4.84 -1.650164832e-01 -1.650164832e-01 4.86 -1.582347350e-01 -1.582347350e-01 4.88 -1.516113078e-01 -1.516113078e-01 4.90 -1.451473003e-01 -1.451473003e-01 4.92 -1.388437066e-01 -1.388437066e-01 4.94 -1.327014073e-01 -1.327014073e-01 4.96 -1.267211595e-01 -1.267211595e-01 4.98 -1.209035921e-01 -1.209035921e-01 5.00 -1.152491778e-01 -1.152491778e-01 5.02 -1.097582411e-01 -1.097582411e-01 5.04 -1.044309438e-01 -1.044309438e-01 5.06 -9.926727407e-02 -9.926727407e-02 5.08 -9.426703792e-02 -9.426703792e-02 5.10 -8.942985175e-02 -8.942985175e-02 5.12 -8.475513558e-02 -8.475513558e-02 5.14 -8.024210766e-02 -8.024210766e-02 5.16 -7.588978033e-02 -7.588978033e-02 5.18 -7.169695729e-02 -7.169695729e-02 5.20 -6.766223224e-02 -6.766223224e-02 5.22 -6.378398902e-02 -6.378398902e-02 5.24 -6.006579600e-02 -6.006579600e-02 5.26 -5.656712049e-02 -5.656712049e-02 5.28 -5.320859831e-02 -5.320859831e-02 5.30 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