# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = Al2Mg # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 1.709776828e+02 1.06 1.610225459e+02 1.08 1.516164577e+02 1.10 1.427000081e+02 1.12 1.342303281e+02 1.14 1.261764313e+02 1.16 1.185156660e+02 1.18 1.112310406e+02 1.20 1.043092387e+02 1.22 9.773917157e+01 1.24 9.151087416e+01 1.26 8.553734741e+01 1.28 7.967316919e+01 1.30 7.397836637e+01 1.32 6.850240717e+01 1.34 6.327932872e+01 1.36 5.833082986e+01 1.38 5.366884293e+01 1.40 4.929766108e+01 1.42 4.521569219e+01 1.44 4.141689710e+01 1.46 3.789196315e+01 1.48 3.462925481e+01 1.50 3.161557802e+01 1.52 2.883678894e+01 1.54 2.627827353e+01 1.56 2.392531987e+01 1.58 2.176340243e+01 1.60 1.977839407e+01 1.62 1.795671928e+01 1.64 1.628546002e+01 1.66 1.475242365e+01 1.68 1.334618094e+01 1.70 1.205608053e+01 1.72 1.087224556e+01 1.74 9.785556660e+00 1.76 8.787625191e+00 1.78 7.870758992e+00 1.80 7.027923982e+00 1.82 6.252703720e+00 1.84 5.539257155e+00 1.86 4.882276083e+00 1.88 4.276943434e+00 1.90 3.718892814e+00 1.92 3.204169929e+00 1.94 2.729196026e+00 1.96 2.290733635e+00 1.98 1.885851046e+00 2.00 1.511880714e+00 2.02 1.166389091e+00 2.04 8.471539867e-01 2.06 5.521440438e-01 2.08 2.795008013e-01 2.10 2.752257044e-02 2.12 -2.053501348e-01 2.14 -4.205476635e-01 2.16 -6.193828938e-01 2.18 -8.030616962e-01 2.20 -9.726922809e-01 2.22 -1.129293594e+00 2.24 -1.273802835e+00 2.26 -1.407082223e+00 2.28 -1.529925081e+00 2.30 -1.643061329e+00 2.32 -1.747162444e+00 2.34 -1.842845964e+00 2.36 -1.930679572e+00 2.38 -2.011184828e+00 2.40 -2.084840567e+00 2.42 -2.152086030e+00 2.44 -2.213323733e+00 2.46 -2.268922119e+00 2.48 -2.319218011e+00 2.50 -2.364513977e+00 2.52 -2.405070374e+00 2.54 -2.441130350e+00 2.56 -2.472926688e+00 2.58 -2.500682185e+00 2.60 -2.524610022e+00 2.62 -2.544914124e+00 2.64 -2.561789505e+00 2.66 -2.575422610e+00 2.68 -2.585991634e+00 2.70 -2.593666840e+00 2.72 -2.598610867e+00 2.74 -2.600979021e+00 2.76 -2.600919562e+00 2.78 -2.598573977e+00 2.80 -2.594077252e+00 2.82 -2.587558122e+00 2.84 -2.579139324e+00 2.86 -2.568937836e+00 2.88 -2.557065106e+00 2.90 -2.543627279e+00 2.92 -2.528725409e+00 2.94 -2.512455667e+00 2.96 -2.494909983e+00 2.98 -2.476206344e+00 3.00 -2.456460761e+00 3.02 -2.435586193e+00 3.04 -2.413758229e+00 3.06 -2.391047706e+00 3.08 -2.367521833e+00 3.10 -2.343244352e+00 3.12 -2.318275679e+00 3.14 -2.292673053e+00 3.16 -2.266490669e+00 3.18 -2.239779814e+00 3.20 -2.212588991e+00 3.22 -2.184964044e+00 3.24 -2.156948275e+00 3.26 -2.128582557e+00 3.28 -2.099905443e+00 3.30 -2.070953274e+00 3.32 -2.041760274e+00 3.34 -2.012358653e+00 3.36 -1.982778697e+00 3.38 -1.953048858e+00 3.40 -1.923195845e+00 3.42 -1.893244699e+00 3.44 -1.863218879e+00 3.46 -1.833140340e+00 3.48 -1.803029603e+00 3.50 -1.772905829e+00 3.52 -1.742786885e+00 3.54 -1.712689416e+00 3.56 -1.682628904e+00 3.58 -1.652619730e+00 3.60 -1.622675236e+00 3.62 -1.592807781e+00 3.64 -1.563029320e+00 3.66 -1.533352768e+00 3.68 -1.503784216e+00 3.70 -1.474330454e+00 3.72 -1.445002649e+00 3.74 -1.415808357e+00 3.76 -1.386754504e+00 3.78 -1.357847426e+00 3.80 -1.329092913e+00 3.82 -1.300496249e+00 3.84 -1.272062255e+00 3.86 -1.243795325e+00 3.88 -1.215699465e+00 3.90 -1.187778328e+00 3.92 -1.160035255e+00 3.94 -1.132473301e+00 3.96 -1.105095278e+00 3.98 -1.077903781e+00 4.00 -1.050901223e+00 4.02 -1.024089864e+00 4.04 -9.974718435e-01 4.06 -9.710492075e-01 4.08 -9.448239371e-01 4.10 -9.187979760e-01 4.12 -8.929732558e-01 4.14 -8.673517219e-01 4.16 -8.419353569e-01 4.18 -8.167262034e-01 4.20 -7.917263859e-01 4.22 -7.669381309e-01 4.24 -7.423637860e-01 4.26 -7.180058373e-01 4.28 -6.938669255e-01 4.30 -6.699498606e-01 4.32 -6.462576342e-01 4.34 -6.227934311e-01 4.36 -5.995606378e-01 4.38 -5.765628500e-01 4.40 -5.538038777e-01 4.42 -5.312877481e-01 4.44 -5.090187064e-01 4.46 -4.870012140e-01 4.48 -4.652399452e-01 4.50 -4.437397799e-01 4.52 -4.225057960e-01 4.54 -4.015432571e-01 4.56 -3.808575997e-01 4.58 -3.604544163e-01 4.60 -3.403394374e-01 4.62 -3.205185104e-01 4.64 -3.009975764e-01 4.66 -2.817826449e-01 4.68 -2.628797664e-01 4.70 -2.442950032e-01 4.72 -2.260343988e-01 4.74 -2.081039451e-01 4.76 -1.905095494e-01 4.78 -1.732569991e-01 4.80 -1.563519275e-01 4.82 -1.397997774e-01 4.84 -1.236057657e-01 4.86 -1.077748481e-01 4.88 -9.231168394e-02 4.90 -7.722060236e-02 4.92 -6.250556951e-02 4.94 -4.817015722e-02 4.96 -3.421751367e-02 4.98 -2.065033606e-02 5.00 -7.470845746e-03 5.02 5.319233918e-03 5.04 1.771869693e-02 5.06 2.972687086e-02 5.08 4.134362982e-02 5.10 5.256940411e-02 5.12 6.345680464e-02 5.14 7.727450517e-02 5.16 1.039881790e-01 5.18 1.258286394e-01 5.20 1.196684952e-01 5.22 1.237972261e-01 5.24 1.277696746e-01 5.26 1.315900801e-01 5.28 1.352626049e-01 5.30 1.387913323e-01 5.32 1.421802653e-01 5.34 1.454333256e-01 5.36 1.485543526e-01 5.38 1.515471030e-01 5.40 1.544152500e-01 5.42 1.571623832e-01 5.44 1.597920082e-01 5.46 1.623075471e-01 5.48 1.647123384e-01 5.50 1.670096374e-01 5.52 1.692026165e-01 5.54 1.712943665e-01 5.56 1.732878966e-01 5.58 1.751861356e-01 5.60 1.769919332e-01 5.62 1.787080606e-01 5.64 1.803372119e-01 5.66 1.818820054e-01 5.68 1.833449851e-01 5.70 1.847286216e-01 5.72 1.860353142e-01 5.74 1.872673921e-01 5.76 1.884271160e-01 5.78 1.895166798e-01 5.80 1.905382120e-01 5.82 1.914937779e-01 5.84 1.923853806e-01 5.86 1.932149631e-01 5.88 1.939844101e-01 5.90 1.946955492e-01 5.92 1.947039214e-01 5.94 1.857198513e-01 5.96 1.475046496e-01 5.98 6.634288319e-02 6.00 -2.057445253e-22