# 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 = Mg2Sn # 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 2.300983445e+02 1.06 2.182338287e+02 1.08 2.069339925e+02 1.10 1.961733049e+02 1.12 1.859273472e+02 1.14 1.761727655e+02 1.16 1.668872260e+02 1.18 1.580493716e+02 1.20 1.496387807e+02 1.22 1.416359271e+02 1.24 1.340221424e+02 1.26 1.267795788e+02 1.28 1.198911750e+02 1.30 1.133406219e+02 1.32 1.071123307e+02 1.34 1.011914023e+02 1.36 9.556359750e+01 1.38 9.021530889e+01 1.40 8.513353359e+01 1.42 8.030584734e+01 1.44 7.572037960e+01 1.46 7.136578969e+01 1.48 6.723124395e+01 1.50 6.330639379e+01 1.52 5.958135480e+01 1.54 5.604668656e+01 1.56 5.269337347e+01 1.58 4.951280623e+01 1.60 4.649676428e+01 1.62 4.363739878e+01 1.64 4.092721649e+01 1.66 3.835906419e+01 1.68 3.592611388e+01 1.70 3.362184849e+01 1.72 3.144004831e+01 1.74 2.937477793e+01 1.76 2.742037372e+01 1.78 2.557143190e+01 1.80 2.382279709e+01 1.82 2.216955133e+01 1.84 2.060700363e+01 1.86 1.913067988e+01 1.88 1.773631325e+01 1.90 1.641983502e+01 1.92 1.517736576e+01 1.94 1.400520686e+01 1.96 1.289983256e+01 1.98 1.185788212e+01 2.00 1.087615254e+01 2.02 9.951591445e+00 2.04 9.081290324e+00 2.06 8.262478083e+00 2.08 7.492514853e+00 2.10 6.768886074e+00 2.12 6.089196837e+00 2.14 5.451166468e+00 2.16 4.852623359e+00 2.18 4.291500008e+00 2.20 3.765828294e+00 2.22 3.273734943e+00 2.24 2.813437208e+00 2.26 2.383238719e+00 2.28 1.981525538e+00 2.30 1.606762372e+00 2.32 1.257488954e+00 2.34 9.323165950e-01 2.36 6.299248737e-01 2.38 3.490584832e-01 2.40 8.852421393e-02 2.42 -1.528119308e-01 2.44 -3.760274879e-01 2.46 -5.821461679e-01 2.48 -7.721403685e-01 2.50 -9.469335784e-01 2.52 -1.107402670e+00 2.54 -1.254380095e+00 2.56 -1.388655973e+00 2.58 -1.510980096e+00 2.60 -1.622063835e+00 2.62 -1.722581964e+00 2.64 -1.813174402e+00 2.66 -1.894447875e+00 2.68 -1.966977499e+00 2.70 -2.031308304e+00 2.72 -2.087956670e+00 2.74 -2.137411712e+00 2.76 -2.180136599e+00 2.78 -2.216569806e+00 2.80 -2.247126317e+00 2.82 -2.272198768e+00 2.84 -2.292158537e+00 2.86 -2.307356791e+00 2.88 -2.318125471e+00 2.90 -2.324778248e+00 2.92 -2.327611421e+00 2.94 -2.326904778e+00 2.96 -2.322923404e+00 2.98 -2.315985488e+00 3.00 -2.306399602e+00 3.02 -2.294019288e+00 3.04 -2.279278125e+00 3.06 -2.262372817e+00 3.08 -2.243488563e+00 3.10 -2.222799642e+00 3.12 -2.200469977e+00 3.14 -2.176653661e+00 3.16 -2.151495471e+00 3.18 -2.125131346e+00 3.20 -2.097688850e+00 3.22 -2.069287607e+00 3.24 -2.040039722e+00 3.26 -2.010050176e+00 3.28 -1.979417201e+00 3.30 -1.948232644e+00 3.32 -1.916582308e+00 3.34 -1.884546274e+00 3.36 -1.852199215e+00 3.38 -1.819610688e+00 3.40 -1.786845414e+00 3.42 -1.753963545e+00 3.44 -1.721020916e+00 3.46 -1.688069285e+00 3.48 -1.655156566e+00 3.50 -1.622327038e+00 3.52 -1.589621560e+00 3.54 -1.557077761e+00 3.56 -1.524730227e+00 3.58 -1.492610681e+00 3.60 -1.460748145e+00 3.62 -1.429170030e+00 3.64 -1.398094550e+00 3.66 -1.368444819e+00 3.68 -1.338902121e+00 3.70 -1.308627953e+00 3.72 -1.278736830e+00 3.74 -1.249242943e+00 3.76 -1.220158848e+00 3.78 -1.191495571e+00 3.80 -1.163262708e+00 3.82 -1.135468512e+00 3.84 -1.108119991e+00 3.86 -1.081222980e+00 3.88 -1.054782231e+00 3.90 -1.028801479e+00 3.92 -1.003283518e+00 3.94 -9.782302648e-01 3.96 -9.536428222e-01 3.98 -9.295215402e-01 4.00 -9.058660704e-01 4.02 -8.826754196e-01 4.04 -8.599479994e-01 4.06 -8.376816738e-01 4.08 -8.158738030e-01 4.10 -7.945212853e-01 4.12 -7.736205966e-01 4.14 -7.531678270e-01 4.16 -7.331587159e-01 4.18 -7.135886846e-01 4.20 -6.944528668e-01 4.22 -6.757461376e-01 4.24 -6.574631403e-01 4.26 -6.395983119e-01 4.28 -6.221459068e-01 4.30 -6.051000190e-01 4.32 -5.884546026e-01 4.34 -5.722034918e-01 4.36 -5.563404182e-01 4.38 -5.408590283e-01 4.40 -5.257528993e-01 4.42 -5.110155531e-01 4.44 -4.966404707e-01 4.46 -4.826211043e-01 4.48 -4.689508895e-01 4.50 -4.556232555e-01 4.52 -4.426316361e-01 4.54 -4.299694780e-01 4.56 -4.176302500e-01 4.58 -4.056074507e-01 4.60 -3.938946156e-01 4.62 -3.824853240e-01 4.64 -3.713732045e-01 4.66 -3.605519413e-01 4.68 -3.500152784e-01 4.70 -3.397570247e-01 4.72 -3.297710577e-01 4.74 -3.200513275e-01 4.76 -3.105918597e-01 4.78 -3.013867587e-01 4.80 -2.924302100e-01 4.82 -2.837164826e-01 4.84 -2.752399308e-01 4.86 -2.669949959e-01 4.88 -2.589762080e-01 4.90 -2.511781867e-01 4.92 -2.435956423e-01 4.94 -2.362233766e-01 4.96 -2.290562832e-01 4.98 -2.220893485e-01 5.00 -2.153176512e-01 5.02 -2.087363630e-01 5.04 -2.023407483e-01 5.06 -1.961261641e-01 5.08 -1.900880595e-01 5.10 -1.842219757e-01 5.12 -1.785167451e-01 5.14 -1.724981525e-01 5.16 -1.632641915e-01 5.18 -1.374895390e-01 5.20 -1.022667913e-01 5.22 -9.834463496e-02 5.24 -9.454366173e-02 5.26 -9.086051977e-02 5.28 -8.729193611e-02 5.30 -8.383471570e-02 5.32 -8.048574046e-02 5.34 -7.724196823e-02 5.36 -7.410043177e-02 5.38 -7.105823764e-02 5.40 -6.811256515e-02 5.42 -6.526066523e-02 5.44 -6.249985930e-02 5.46 -5.982753816e-02 5.48 -5.724116079e-02 5.50 -5.473825324e-02 5.52 -5.231640740e-02 5.54 -4.997327989e-02 5.56 -4.770659082e-02 5.58 -4.551412262e-02 5.60 -4.339371886e-02 5.62 -4.134328305e-02 5.64 -3.936077745e-02 5.66 -3.744422186e-02 5.68 -3.559169246e-02 5.70 -3.380132055e-02 5.72 -3.207129143e-02 5.74 -3.039984316e-02 5.76 -2.878526536e-02 5.78 -2.722589804e-02 5.80 -2.572013039e-02 5.82 -2.426639958e-02 5.84 -2.286318958e-02 5.86 -2.150902994e-02 5.88 -2.020249462e-02 5.90 -1.894220075e-02 5.92 -1.786463620e-02 5.94 -1.867544914e-02 5.96 -2.413344074e-02 5.98 -2.642584015e-02 6.00 -1.329500092e-22