# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoNi2 # 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 -3.859095549e+02 0.94 -3.594373782e+02 0.96 -3.349240073e+02 0.98 -3.122532251e+02 1.00 -2.912300367e+02 1.02 -2.717300228e+02 1.04 -2.533951679e+02 1.06 -2.363464920e+02 1.08 -2.205369612e+02 1.10 -2.058260678e+02 1.12 -1.919820904e+02 1.14 -1.789450083e+02 1.16 -1.669919501e+02 1.18 -1.560575850e+02 1.20 -1.461453329e+02 1.22 -1.372457827e+02 1.24 -1.291408033e+02 1.26 -1.216233232e+02 1.28 -1.146699585e+02 1.30 -1.082083113e+02 1.32 -1.021179557e+02 1.34 -9.623241811e+01 1.36 -9.053143848e+01 1.38 -8.493210957e+01 1.40 -7.954850639e+01 1.42 -7.426437222e+01 1.44 -6.902749326e+01 1.46 -6.378498015e+01 1.48 -5.845019256e+01 1.50 -5.302899398e+01 1.52 -4.757014511e+01 1.54 -4.212835959e+01 1.56 -3.675010794e+01 1.58 -3.143350283e+01 1.60 -2.622549578e+01 1.62 -2.108047708e+01 1.64 -1.605811737e+01 1.66 -1.129182108e+01 1.68 -7.413594284e+00 1.70 -4.673709125e+00 1.72 -2.794441545e+00 1.74 -1.544164680e+00 1.76 -7.613414707e-01 1.78 -2.935217442e-01 1.80 -3.302429816e-02 1.82 9.744317654e-02 1.84 1.435743337e-01 1.86 1.089347602e-01 1.88 2.086530944e-02 1.90 -1.008426060e-01 1.92 -2.656099301e-01 1.94 -4.769750792e-01 1.96 -7.188555285e-01 1.98 -9.761860382e-01 2.00 -1.233280516e+00 2.02 -1.480396307e+00 2.04 -1.720664404e+00 2.06 -1.948564637e+00 2.08 -2.164205538e+00 2.10 -2.369357954e+00 2.12 -2.566347851e+00 2.14 -2.736194310e+00 2.16 -2.903348125e+00 2.18 -3.056555120e+00 2.20 -3.192479772e+00 2.22 -3.308512535e+00 2.24 -3.404831772e+00 2.26 -3.482707009e+00 2.28 -3.544185501e+00 2.30 -3.591982508e+00 2.32 -3.629235521e+00 2.34 -3.645504028e+00 2.36 -3.660358120e+00 2.38 -3.669182488e+00 2.40 -3.661915974e+00 2.42 -3.653860229e+00 2.44 -3.640028478e+00 2.46 -3.621122363e+00 2.48 -3.597969391e+00 2.50 -3.571446312e+00 2.52 -3.541821146e+00 2.54 -3.508953786e+00 2.56 -3.472715754e+00 2.58 -3.433066564e+00 2.60 -3.387687304e+00 2.62 -3.339955797e+00 2.64 -3.288936157e+00 2.66 -3.234615115e+00 2.68 -3.176891127e+00 2.70 -3.115803606e+00 2.72 -3.051565184e+00 2.74 -2.984507019e+00 2.76 -2.915012516e+00 2.78 -2.843478069e+00 2.80 -2.770353267e+00 2.82 -2.695969393e+00 2.84 -2.620430074e+00 2.86 -2.543583846e+00 2.88 -2.465058428e+00 2.90 -2.384430987e+00 2.92 -2.301802574e+00 2.94 -2.217768549e+00 2.96 -2.133016029e+00 2.98 -2.048317466e+00 3.00 -1.963187281e+00 3.02 -1.877916828e+00 3.04 -1.795456476e+00 3.06 -1.714988742e+00 3.08 -1.636765841e+00 3.10 -1.560959232e+00 3.12 -1.487773546e+00 3.14 -1.413868804e+00 3.16 -1.344329566e+00 3.18 -1.277396952e+00 3.20 -1.213192717e+00 3.22 -1.151776905e+00 3.24 -1.093202438e+00 3.26 -1.037513489e+00 3.28 -9.847330718e-01 3.30 -9.348435392e-01 3.32 -8.877653944e-01 3.34 -8.433395094e-01 3.36 -8.013395621e-01 3.38 -7.614812248e-01 3.40 -7.234821431e-01 3.42 -6.871915384e-01 3.44 -6.524998584e-01 3.46 -6.193289768e-01 3.48 -5.876353783e-01 3.50 -5.574039017e-01 3.52 -5.286377446e-01 3.54 -5.013487878e-01 3.56 -4.755492782e-01 3.58 -4.512469775e-01 3.60 -4.284427937e-01 3.62 -4.071312790e-01 3.64 -3.873026677e-01 3.66 -3.689577408e-01 3.68 -3.491358119e-01 3.70 -3.321746517e-01 3.72 -3.162259361e-01 3.74 -3.012281205e-01 3.76 -2.871182533e-01 3.78 -2.738321238e-01 3.80 -2.613043375e-01 3.82 -2.494683585e-01 3.84 -2.382565923e-01 3.86 -2.276039511e-01 3.88 -2.174750876e-01 3.90 -2.078500867e-01 3.92 -1.987091575e-01 3.94 -1.900322650e-01 3.96 -1.817989409e-01 3.98 -1.739887203e-01 4.00 -1.665809945e-01 4.02 -1.595550324e-01 4.04 -1.528899753e-01 4.06 -1.465649314e-01 4.08 -1.405587539e-01 4.10 -1.348502443e-01 4.12 -1.294178295e-01 4.14 -1.242298431e-01 4.16 -1.192384802e-01 4.18 -1.143942916e-01 4.20 -1.096528921e-01 4.22 -1.049982501e-01 4.24 -1.004237335e-01 4.26 -9.592257574e-02 4.28 -9.148767993e-02 4.30 -8.711206435e-02 4.32 -8.278856361e-02 4.34 -7.851002753e-02 4.36 -7.426962822e-02 4.38 -7.006082350e-02 4.40 -6.587779998e-02 4.42 -6.171573252e-02 4.44 -5.757123439e-02 4.46 -5.344303396e-02 4.48 -4.933252421e-02 4.50 -4.524454815e-02 4.52 -4.118825396e-02 4.54 -3.717820615e-02 4.56 -3.323497864e-02 4.58 -2.938489969e-02 4.60 -2.565979773e-02 4.62 -2.209589028e-02 4.64 -1.873199345e-02 4.66 -1.560668461e-02 4.68 -1.275492966e-02 4.70 -1.020429937e-02 4.72 -7.971676904e-03 4.74 -6.060816473e-03 4.76 -4.461130280e-03 4.78 -3.139880060e-03 4.80 -2.052536075e-03 4.82 -1.167745831e-03 4.84 -4.538053523e-04 4.86 1.213234951e-04 4.88 5.870102458e-04 4.90 9.682360009e-04 4.92 1.284547495e-03 4.94 1.547859234e-03 4.96 1.778983736e-03 4.98 1.998817089e-03 5.00 2.216730446e-03 5.02 2.432560476e-03 5.04 2.638179884e-03 5.06 2.819868171e-03 5.08 2.959579336e-03 5.10 3.036552495e-03 5.12 3.028700231e-03 5.14 2.913924541e-03 5.16 2.671469378e-03 5.18 2.282718576e-03 5.20 3.750633608e-03 5.22 3.805469790e-03 5.24 3.854933331e-03 5.26 3.908087645e-03 5.28 3.971484735e-03 5.30 4.047384245e-03 5.32 4.132645978e-03 5.34 4.218411331e-03 5.36 4.290852142e-03 5.38 4.333362972e-03 5.40 4.328947883e-03 5.42 4.263139917e-03 5.44 4.126709718e-03 5.46 3.917263034e-03 5.48 3.640284563e-03 5.50 3.309019652e-03 5.52 2.943462402e-03 5.54 2.563476876e-03 5.56 2.179874384e-03 5.58 1.803892213e-03 5.60 1.446944644e-03 5.62 1.119550399e-03 5.64 8.301647304e-04 5.66 5.846523275e-04 5.68 3.859291146e-04 5.70 2.339491682e-04 5.72 1.259145561e-04 5.74 5.651593265e-05 5.76 1.848319796e-05 5.78 2.975646498e-06 5.80 8.272099762e-09 5.82 -9.666243480e-07 5.84 -1.065046887e-05 5.86 -3.974242623e-05 5.88 -9.898928107e-05 5.90 -1.990750585e-04 5.92 -3.506921219e-04 5.94 -5.645484505e-04 5.96 -8.513257144e-04 5.98 -1.221608465e-03 6.00 -7.981571802e-04