# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-K-H-Jeon-J-B-Lee-B-J--Mg-Sn # implementation = 2015--Kim-K-H--Mg-Sn--LAMMPS--ipr1 # composition = MgSn2 # 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 3.782317971e+02 1.06 3.589972957e+02 1.08 3.406814406e+02 1.10 3.232421023e+02 1.12 3.066390283e+02 1.14 2.908337610e+02 1.16 2.757895596e+02 1.18 2.614713253e+02 1.20 2.478455293e+02 1.22 2.348801444e+02 1.24 2.225445791e+02 1.26 2.108096151e+02 1.28 1.996473464e+02 1.30 1.890311227e+02 1.32 1.789354934e+02 1.34 1.693361554e+02 1.36 1.602099026e+02 1.38 1.515345772e+02 1.40 1.432890240e+02 1.42 1.354530461e+02 1.44 1.280073623e+02 1.46 1.209335670e+02 1.48 1.142140913e+02 1.50 1.078321661e+02 1.52 1.017717863e+02 1.54 9.601767745e+01 1.56 9.055526298e+01 1.58 8.537063327e+01 1.60 8.045051598e+01 1.62 7.578224770e+01 1.64 7.135374681e+01 1.66 6.715348751e+01 1.68 6.317047501e+01 1.70 5.939422177e+01 1.72 5.581472485e+01 1.74 5.242244416e+01 1.76 4.920828170e+01 1.78 4.616356174e+01 1.80 4.328001183e+01 1.82 4.054974464e+01 1.84 3.796524062e+01 1.86 3.551933143e+01 1.88 3.320518406e+01 1.90 3.101628569e+01 1.92 2.894642918e+01 1.94 2.698969925e+01 1.96 2.514045920e+01 1.98 2.339333829e+01 2.00 2.174321962e+01 2.02 2.018522860e+01 2.04 1.871472186e+01 2.06 1.732727676e+01 2.08 1.601868122e+01 2.10 1.478492413e+01 2.12 1.362218616e+01 2.14 1.252683088e+01 2.16 1.149539644e+01 2.18 1.052458749e+01 2.20 9.611267500e+00 2.22 8.752451451e+00 2.24 7.945298824e+00 2.26 7.187106907e+00 2.28 6.475304410e+00 2.30 5.807445364e+00 2.32 5.181203287e+00 2.34 4.594365624e+00 2.36 4.044828430e+00 2.38 3.530591298e+00 2.40 3.049752506e+00 2.42 2.600504400e+00 2.44 2.181128968e+00 2.46 1.789993627e+00 2.48 1.425547200e+00 2.50 1.086316067e+00 2.52 7.709005012e-01 2.54 4.779711673e-01 2.56 2.062657795e-01 2.58 -4.541413934e-02 2.60 -2.782062743e-01 2.62 -4.931899900e-01 2.64 -6.913900264e-01 2.66 -8.737784282e-01 2.68 -1.041277261e+00 2.70 -1.194761017e+00 2.72 -1.335058907e+00 2.74 -1.462957055e+00 2.76 -1.579200578e+00 2.78 -1.684495585e+00 2.80 -1.779511068e+00 2.82 -1.864880720e+00 2.84 -1.941204652e+00 2.86 -2.009051049e+00 2.88 -2.068957731e+00 2.90 -2.121433651e+00 2.92 -2.166960323e+00 2.94 -2.205993176e+00 2.96 -2.238962854e+00 2.98 -2.266276446e+00 3.00 -2.288318662e+00 3.02 -2.305452957e+00 3.04 -2.318022594e+00 3.06 -2.326351662e+00 3.08 -2.330746044e+00 3.10 -2.331494341e+00 3.12 -2.328868748e+00 3.14 -2.323125891e+00 3.16 -2.314507624e+00 3.18 -2.303241786e+00 3.20 -2.289542924e+00 3.22 -2.273612979e+00 3.24 -2.255641938e+00 3.26 -2.235808459e+00 3.28 -2.214280461e+00 3.30 -2.191215689e+00 3.32 -2.166762248e+00 3.34 -2.141059110e+00 3.36 -2.114236606e+00 3.38 -2.086416880e+00 3.40 -2.057714327e+00 3.42 -2.028236017e+00 3.44 -1.998082080e+00 3.46 -1.967346093e+00 3.48 -1.936115429e+00 3.50 -1.904471602e+00 3.52 -1.872490586e+00 3.54 -1.840243126e+00 3.56 -1.807795024e+00 3.58 -1.775207420e+00 3.60 -1.742537050e+00 3.62 -1.709837312e+00 3.64 -1.677326265e+00 3.66 -1.645831368e+00 3.68 -1.614223463e+00 3.70 -1.581798350e+00 3.72 -1.549552325e+00 3.74 -1.517517618e+00 3.76 -1.485723731e+00 3.78 -1.454197592e+00 3.80 -1.422963716e+00 3.82 -1.392044349e+00 3.84 -1.361459609e+00 3.86 -1.331227611e+00 3.88 -1.301364601e+00 3.90 -1.271885066e+00 3.92 -1.242801849e+00 3.94 -1.214126252e+00 3.96 -1.185868139e+00 3.98 -1.158036028e+00 4.00 -1.130637181e+00 4.02 -1.103677686e+00 4.04 -1.077162542e+00 4.06 -1.051095728e+00 4.08 -1.025480277e+00 4.10 -1.000318344e+00 4.12 -9.756112665e-01 4.14 -9.513596263e-01 4.16 -9.275633048e-01 4.18 -9.042215363e-01 4.20 -8.813329578e-01 4.22 -8.588956563e-01 4.24 -8.369072127e-01 4.26 -8.153647440e-01 4.28 -7.942649420e-01 4.30 -7.736041107e-01 4.32 -7.533782005e-01 4.34 -7.335828411e-01 4.36 -7.142133719e-01 4.38 -6.952648707e-01 4.40 -6.767321807e-01 4.42 -6.586099356e-01 4.44 -6.408925833e-01 4.46 -6.235744077e-01 4.48 -6.066495499e-01 4.50 -5.901120273e-01 4.52 -5.739557512e-01 4.54 -5.581745443e-01 4.56 -5.427621560e-01 4.58 -5.277122770e-01 4.60 -5.130185531e-01 4.62 -4.986745976e-01 4.64 -4.846740030e-01 4.66 -4.710103522e-01 4.68 -4.576772280e-01 4.70 -4.446682228e-01 4.72 -4.319769471e-01 4.74 -4.195970371e-01 4.76 -4.075221623e-01 4.78 -3.957460320e-01 4.80 -3.842624015e-01 4.82 -3.730650774e-01 4.84 -3.621479229e-01 4.86 -3.515048624e-01 4.88 -3.411298857e-01 4.90 -3.310170515e-01 4.92 -3.211604910e-01 4.94 -3.115544109e-01 4.96 -3.021930963e-01 4.98 -2.930709127e-01 5.00 -2.841823081e-01 5.02 -2.755218153e-01 5.04 -2.670840531e-01 5.06 -2.588637275e-01 5.08 -2.508556334e-01 5.10 -2.430546546e-01 5.12 -2.354424097e-01 5.14 -2.271299482e-01 5.16 -2.144288751e-01 5.18 -1.940911492e-01 5.20 -1.789299027e-01 5.22 -1.732270243e-01 5.24 -1.676656286e-01 5.26 -1.622423880e-01 5.28 -1.569540334e-01 5.30 -1.517973541e-01 5.32 -1.467691984e-01 5.34 -1.418664736e-01 5.36 -1.370861464e-01 5.38 -1.324252423e-01 5.40 -1.278808463e-01 5.42 -1.234501020e-01 5.44 -1.191302120e-01 5.46 -1.149184374e-01 5.48 -1.108120975e-01 5.50 -1.068085693e-01 5.52 -1.029052873e-01 5.54 -9.909974302e-02 5.56 -9.538948430e-02 5.58 -9.177211494e-02 5.60 -8.824529404e-02 5.62 -8.480673542e-02 5.64 -8.145420695e-02 5.66 -7.818552988e-02 5.68 -7.499857812e-02 5.70 -7.189127758e-02 5.72 -6.886160530e-02 5.74 -6.590758878e-02 5.76 -6.302730513e-02 5.78 -6.021888022e-02 5.80 -5.748048792e-02 5.82 -5.481034914e-02 5.84 -5.220673103e-02 5.86 -4.966794603e-02 5.88 -4.719235096e-02 5.90 -4.477834613e-02 5.92 -4.245715718e-02 5.94 -4.064973480e-02 5.96 -3.938588762e-02 5.98 -3.074783887e-02 6.00 -1.368128092e-22