# 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 = Al2Mo # 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 1.616652251e+02 1.16 1.498071521e+02 1.18 1.388808345e+02 1.20 1.287978207e+02 1.22 1.194769355e+02 1.24 1.108447446e+02 1.26 1.028374391e+02 1.28 9.540120459e+01 1.30 8.849023164e+01 1.32 8.206424435e+01 1.34 7.608713793e+01 1.36 7.052655458e+01 1.38 6.535331548e+01 1.40 6.054028865e+01 1.42 5.606115200e+01 1.44 5.188962763e+01 1.46 4.799960142e+01 1.48 4.436622616e+01 1.50 4.096770397e+01 1.52 3.778889609e+01 1.54 3.481535125e+01 1.56 3.203415355e+01 1.58 2.943407020e+01 1.60 2.700753584e+01 1.62 2.474731754e+01 1.64 2.264322740e+01 1.66 2.068497765e+01 1.68 1.886230500e+01 1.70 1.716535936e+01 1.72 1.558511228e+01 1.74 1.411352973e+01 1.76 1.274347424e+01 1.78 1.146850830e+01 1.80 1.028276822e+01 1.82 9.180934715e+00 1.84 8.158220549e+00 1.86 7.210301160e+00 1.88 6.333174075e+00 1.90 5.522976200e+00 1.92 4.775805401e+00 1.94 4.087599144e+00 1.96 3.454112331e+00 1.98 2.871001301e+00 2.00 2.333976213e+00 2.02 1.838957678e+00 2.04 1.382177625e+00 2.06 9.601959828e-01 2.08 5.698499722e-01 2.10 2.081851956e-01 2.12 -1.275833197e-01 2.14 -4.400593800e-01 2.16 -7.316128918e-01 2.18 -1.004313261e+00 2.20 -1.259877732e+00 2.22 -1.499584574e+00 2.24 -1.724309841e+00 2.26 -1.934970350e+00 2.28 -2.132208454e+00 2.30 -2.316455185e+00 2.32 -2.488007314e+00 2.34 -2.647084031e+00 2.36 -2.793868290e+00 2.38 -2.928538527e+00 2.40 -3.051224081e+00 2.42 -3.161991296e+00 2.44 -3.261001795e+00 2.46 -3.348533807e+00 2.48 -3.424982452e+00 2.50 -3.490853999e+00 2.52 -3.546755401e+00 2.54 -3.593382942e+00 2.56 -3.631513040e+00 2.58 -3.661993500e+00 2.60 -3.685727791e+00 2.62 -3.704103811e+00 2.64 -3.719292136e+00 2.66 -3.731623601e+00 2.68 -3.741265583e+00 2.70 -3.748321569e+00 2.72 -3.752809727e+00 2.74 -3.754668786e+00 2.76 -3.753780049e+00 2.78 -3.749993667e+00 2.80 -3.743152830e+00 2.82 -3.733127517e+00 2.84 -3.719813861e+00 2.86 -3.703118594e+00 2.88 -3.682959419e+00 2.90 -3.659265483e+00 2.92 -3.631979891e+00 2.94 -3.601065604e+00 2.96 -3.566515076e+00 2.98 -3.528362654e+00 3.00 -3.486697359e+00 3.02 -3.441672425e+00 3.04 -3.393507516e+00 3.06 -3.342480631e+00 3.08 -3.288908900e+00 3.10 -3.233121319e+00 3.12 -3.175428836e+00 3.14 -3.116098578e+00 3.16 -3.055337331e+00 3.18 -2.993286847e+00 3.20 -2.930029945e+00 3.22 -2.865604485e+00 3.24 -2.800021483e+00 3.26 -2.733284141e+00 3.28 -2.665405568e+00 3.30 -2.596423947e+00 3.32 -2.526414565e+00 3.34 -2.455498433e+00 3.36 -2.383847270e+00 3.38 -2.311684602e+00 3.40 -2.239282786e+00 3.42 -2.166955932e+00 3.44 -2.095048973e+00 3.46 -2.023923707e+00 3.48 -1.953942892e+00 3.50 -1.885453868e+00 3.52 -1.818773286e+00 3.54 -1.754174318e+00 3.56 -1.691877420e+00 3.58 -1.632045171e+00 3.60 -1.574781182e+00 3.62 -1.520132650e+00 3.64 -1.468095731e+00 3.66 -1.418622851e+00 3.68 -1.371630972e+00 3.70 -1.327010045e+00 3.72 -1.284630977e+00 3.74 -1.244352724e+00 3.76 -1.206028240e+00 3.78 -1.169509226e+00 3.80 -1.134649715e+00 3.82 -1.101308592e+00 3.84 -1.069351219e+00 3.86 -1.038650324e+00 3.88 -1.009086327e+00 3.90 -9.805472482e-01 3.92 -9.529283344e-01 3.94 -9.261315775e-01 3.96 -9.000650760e-01 3.98 -8.746425325e-01 4.00 -8.497828084e-01 4.02 -8.254096663e-01 4.04 -8.014517506e-01 4.06 -7.778428575e-01 4.08 -7.545225341e-01 4.10 -7.314370137e-01 4.12 -7.085405751e-01 4.14 -6.857970431e-01 4.16 -6.631816637e-01 4.18 -6.406829462e-01 4.20 -6.183043568e-01 4.22 -5.960655751e-01 4.24 -5.740030087e-01 4.26 -5.521692834e-01 4.28 -5.306314930e-01 4.30 -5.094681354e-01 4.32 -4.887648395e-01 4.34 -4.686091945e-01 4.36 -4.490851620e-01 4.38 -4.302676547e-01 4.40 -4.122178610e-01 4.42 -3.949797869e-01 4.44 -3.785782940e-01 4.46 -3.630186885e-01 4.48 -3.482877054e-01 4.50 -3.343556081e-01 4.52 -3.211789627e-01 4.54 -3.087037518e-01 4.56 -2.968684842e-01 4.58 -2.856071268e-01 4.60 -2.748516153e-01 4.62 -2.645335253e-01 4.64 -2.545861524e-01 4.66 -2.449467428e-01 4.68 -2.355561112e-01 4.70 -2.263595140e-01 4.72 -2.173073689e-01 4.74 -2.083558652e-01 4.76 -1.994675294e-01 4.78 -1.906117841e-01 4.80 -1.817654930e-01 4.82 -1.729135660e-01 4.84 -1.640493430e-01 4.86 -1.551750124e-01 4.88 -1.463017350e-01 4.90 -1.374494910e-01 4.92 -1.286465572e-01 4.94 -1.199285618e-01 4.96 -1.113371070e-01 4.98 -1.029179938e-01 5.00 -9.471913821e-02 5.02 -8.678831509e-02 5.04 -7.917089556e-02 5.06 -7.190775649e-02 5.08 -6.503352316e-02 5.10 -5.857527019e-02 5.12 -5.255175180e-02 5.14 -4.697317362e-02 5.16 -4.184146355e-02 5.18 -3.715095636e-02 5.20 -3.288938068e-02 5.22 -2.903903105e-02 5.24 -2.557801923e-02 5.26 -2.248148878e-02 5.28 -1.972274427e-02 5.30 -1.727423231e-02 5.32 -1.510838221e-02 5.34 -1.319826297e-02 5.36 -1.151807157e-02 5.38 -1.004321425e-02 5.40 -8.751115826e-03 5.42 -7.621164762e-03 5.44 -6.634495555e-03 5.46 -5.774006358e-03 5.48 -5.024316907e-03 5.50 -4.371686242e-03 5.52 -3.803905362e-03 5.54 -3.310176201e-03 5.56 -2.880985242e-03 5.58 -2.507977617e-03 5.60 -2.183835676e-03 5.62 -1.902164527e-03 5.64 -1.657386020e-03 5.66 -1.444641838e-03 5.68 -1.259705870e-03 5.70 -1.098905617e-03 5.72 -9.590522070e-04 5.74 -8.373784015e-04 5.76 -7.314839505e-04 5.78 -6.392875953e-04 5.80 -5.589850501e-04 5.82 -4.890123090e-04 5.84 -4.280136726e-04 5.86 -3.748139378e-04 5.88 -3.283942405e-04 5.90 -2.878710990e-04 5.92 -2.524782491e-04 5.94 -2.215509105e-04 5.96 -1.945121678e-04 5.98 -1.708611867e-04 6.00 -1.501630198e-04