# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgTi2 # 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 2024-04-11 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 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.129505918e+02 1.16 3.816378439e+02 1.18 3.528238955e+02 1.20 3.262889901e+02 1.22 3.018349701e+02 1.24 2.792833341e+02 1.26 2.584736075e+02 1.28 2.392615352e+02 1.30 2.215161791e+02 1.32 2.051171483e+02 1.34 1.899535015e+02 1.36 1.759239353e+02 1.38 1.629367287e+02 1.40 1.509087578e+02 1.42 1.397642051e+02 1.44 1.294338599e+02 1.46 1.198548932e+02 1.48 1.109703376e+02 1.50 1.027281495e+02 1.52 9.508030405e+01 1.54 8.798226608e+01 1.56 8.139286223e+01 1.58 7.527426735e+01 1.60 6.959182423e+01 1.62 6.431408098e+01 1.64 5.941218569e+01 1.66 5.485904065e+01 1.68 5.062920961e+01 1.70 4.669869075e+01 1.72 4.304531270e+01 1.74 3.964872395e+01 1.76 3.649044758e+01 1.78 3.355370606e+01 1.80 3.082314155e+01 1.82 2.828459480e+01 1.84 2.592495947e+01 1.86 2.373207337e+01 1.88 2.169460068e+01 1.90 1.980191753e+01 1.92 1.804401710e+01 1.94 1.641146522e+01 1.96 1.489541285e+01 1.98 1.348764173e+01 2.00 1.218057977e+01 2.02 1.096724803e+01 2.04 9.841166534e+00 2.06 8.796278699e+00 2.08 7.826931595e+00 2.10 6.927898347e+00 2.12 6.094398129e+00 2.14 5.322076195e+00 2.16 4.606944320e+00 2.18 3.945299626e+00 2.20 3.333646284e+00 2.22 2.768631172e+00 2.24 2.247008148e+00 2.26 1.765636858e+00 2.28 1.321513430e+00 2.30 9.118190537e-01 2.32 5.339611917e-01 2.34 1.855983294e-01 2.36 -1.353639400e-01 2.38 -4.307960679e-01 2.40 -7.023857396e-01 2.42 -9.518198257e-01 2.44 -1.180453924e+00 2.46 -1.389478479e+00 2.48 -1.580069187e+00 2.50 -1.753386714e+00 2.52 -1.910569231e+00 2.54 -2.052719248e+00 2.56 -2.180866229e+00 2.58 -2.295737789e+00 2.60 -2.397905160e+00 2.62 -2.487956339e+00 2.64 -2.566489677e+00 2.66 -2.634106682e+00 2.68 -2.691409906e+00 2.70 -2.738999855e+00 2.72 -2.777471844e+00 2.74 -2.807412319e+00 2.76 -2.829395069e+00 2.78 -2.843977845e+00 2.80 -2.851701713e+00 2.82 -2.853089830e+00 2.84 -2.848650907e+00 2.86 -2.838882197e+00 2.88 -2.824272192e+00 2.90 -2.805301037e+00 2.92 -2.782437693e+00 2.94 -2.756134358e+00 2.96 -2.726820050e+00 2.98 -2.694895567e+00 3.00 -2.660731007e+00 3.02 -2.624665327e+00 3.04 -2.587006231e+00 3.06 -2.548029887e+00 3.08 -2.507978478e+00 3.10 -2.467059611e+00 3.12 -2.425446473e+00 3.14 -2.383282384e+00 3.16 -2.340683796e+00 3.18 -2.297748085e+00 3.20 -2.254559031e+00 3.22 -2.211191639e+00 3.24 -2.167715469e+00 3.26 -2.124196489e+00 3.28 -2.080697606e+00 3.30 -2.037278200e+00 3.32 -1.993992983e+00 3.34 -1.950905675e+00 3.36 -1.908061282e+00 3.38 -1.865478421e+00 3.40 -1.823174346e+00 3.42 -1.781167612e+00 3.44 -1.739481057e+00 3.46 -1.698146337e+00 3.48 -1.657207722e+00 3.50 -1.616724808e+00 3.52 -1.576771195e+00 3.54 -1.537415104e+00 3.56 -1.498724029e+00 3.58 -1.460771089e+00 3.60 -1.423625324e+00 3.62 -1.387342718e+00 3.64 -1.351959756e+00 3.66 -1.317490551e+00 3.68 -1.283927581e+00 3.70 -1.251245248e+00 3.72 -1.219405055e+00 3.74 -1.188361167e+00 3.76 -1.158065433e+00 3.78 -1.128471350e+00 3.80 -1.099536801e+00 3.82 -1.071225625e+00 3.84 -1.043508220e+00 3.86 -1.016361408e+00 3.88 -9.897677831e-01 3.90 -9.637147473e-01 3.92 -9.381933448e-01 3.94 -9.131974576e-01 3.96 -8.887223872e-01 3.98 -8.647643853e-01 4.00 -8.413199936e-01 4.02 -8.183856635e-01 4.04 -7.959575373e-01 4.06 -7.740313473e-01 4.08 -7.526023868e-01 4.10 -7.316650207e-01 4.12 -7.112148173e-01 4.14 -6.912452511e-01 4.16 -6.717500800e-01 4.18 -6.527227411e-01 4.20 -6.341563708e-01 4.22 -6.160438238e-01 4.24 -5.983776933e-01 4.26 -5.811503330e-01 4.28 -5.643538822e-01 4.30 -5.479802932e-01 4.32 -5.320213594e-01 4.34 -5.164687420e-01 4.36 -5.013139941e-01 4.38 -4.865485778e-01 4.40 -4.721638745e-01 4.42 -4.581511859e-01 4.44 -4.445017247e-01 4.46 -4.312065972e-01 4.48 -4.182567785e-01 4.50 -4.056430818e-01 4.52 -3.933561269e-01 4.54 -3.813863083e-01 4.56 -3.697237690e-01 4.58 -3.583583805e-01 4.60 -3.472797348e-01 4.62 -3.364771488e-01 4.64 -3.259396857e-01 4.66 -3.156561948e-01 4.68 -3.056153748e-01 4.70 -2.958058610e-01 4.72 -2.862163423e-01 4.74 -2.768357102e-01 4.76 -2.676532435e-01 4.78 -2.586588307e-01 4.80 -2.498428848e-01 4.82 -2.411980854e-01 4.84 -2.327174339e-01 4.86 -2.243961789e-01 4.88 -2.162317231e-01 4.90 -2.082239078e-01 4.92 -2.003752148e-01 4.94 -1.926908421e-01 4.96 -1.851786108e-01 4.98 -1.778486717e-01 5.00 -1.707129985e-01 5.02 -1.637846806e-01 5.04 -1.570770626e-01 5.06 -1.506028017e-01 5.08 -1.443729379e-01 5.10 -1.383960717e-01 5.12 -1.326777349e-01 5.14 -1.272200110e-01 5.16 -1.220214252e-01 5.18 -1.170770896e-01 5.20 -1.123790567e-01 5.22 -1.079168198e-01 5.24 -1.036778906e-01 5.26 -9.964839075e-02 5.28 -9.581360639e-02 5.30 -9.215847421e-02 5.32 -8.866797897e-02 5.34 -8.532745931e-02 5.36 -8.212282722e-02 5.38 -7.904071293e-02 5.40 -7.606854411e-02 5.42 -7.319451342e-02 5.44 -7.040776239e-02 5.46 -6.769831622e-02 5.48 -6.505704085e-02 5.50 -6.247564225e-02 5.52 -5.994667582e-02 5.54 -5.746356997e-02 5.56 -5.502066600e-02 5.58 -5.261327371e-02 5.60 -5.023773985e-02 5.62 -4.789152383e-02 5.64 -4.557327258e-02 5.66 -4.328288396e-02 5.68 -4.102154652e-02 5.70 -3.879174234e-02 5.72 -3.659720060e-02 5.74 -3.444279167e-02 5.76 -3.233435623e-02 5.78 -3.027847401e-02 5.80 -2.828216261e-02 5.82 -2.635254625e-02 5.84 -2.449650737e-02 5.86 -2.272034132e-02 5.88 -2.102944480e-02 5.90 -1.942806209e-02 5.92 -1.791883046e-02 5.94 -1.650259374e-02 5.96 -1.517988564e-02 5.98 -1.394980490e-02 6.00 -1.281008968e-02