# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1 # composition = CuN2 # 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 3.127034277e+02 0.92 2.903424498e+02 0.94 2.699351192e+02 0.96 2.512660867e+02 0.98 2.341481569e+02 1.00 2.184182538e+02 1.02 2.039339932e+02 1.04 1.905707641e+02 1.06 1.782192434e+02 1.08 1.667832784e+02 1.10 1.561780796e+02 1.12 1.463286784e+02 1.14 1.371686091e+02 1.16 1.286387812e+02 1.18 1.206865133e+02 1.20 1.132647062e+02 1.22 1.063311318e+02 1.24 9.984782242e+01 1.26 9.378054622e+01 1.28 8.809835376e+01 1.30 8.277318801e+01 1.32 7.777954658e+01 1.34 7.309418962e+01 1.36 6.869588669e+01 1.38 6.455915671e+01 1.40 6.368302456e+01 1.42 6.608355412e+01 1.44 6.815909369e+01 1.46 6.844187814e+01 1.48 6.664353399e+01 1.50 6.305165376e+01 1.52 5.817417470e+01 1.54 5.254371726e+01 1.56 4.662193251e+01 1.58 4.076340588e+01 1.60 3.521283834e+01 1.62 3.011873446e+01 1.64 2.555350774e+01 1.66 2.153425650e+01 1.68 1.804124308e+01 1.70 1.503290221e+01 1.72 1.245716896e+01 1.74 1.025947031e+01 1.76 8.387951839e+00 1.78 6.796554769e+00 1.80 5.446451896e+00 1.82 4.305178974e+00 1.84 3.344511595e+00 1.86 2.539739405e+00 1.88 1.869251019e+00 1.90 1.314166914e+00 1.92 8.580138128e-01 1.94 4.864362452e-01 1.96 1.869417031e-01 1.98 -5.132524920e-02 2.00 -2.377825443e-01 2.02 -3.805868211e-01 2.04 -4.867893664e-01 2.06 -5.624735429e-01 2.08 -6.128760521e-01 2.10 -6.424939797e-01 2.12 -6.551789319e-01 2.14 -6.542200091e-01 2.16 -6.424168191e-01 2.18 -6.221435642e-01 2.20 -5.954054230e-01 2.22 -5.638879906e-01 2.24 -5.290005910e-01 2.26 -4.919142724e-01 2.28 -4.535950017e-01 2.30 -4.148326798e-01 2.32 -3.762664902e-01 2.34 -3.384069639e-01 2.36 -3.016552031e-01 2.38 -2.663195906e-01 2.40 -2.326302754e-01 2.42 -2.007517340e-01 2.44 -1.707936228e-01 2.46 -1.428201394e-01 2.48 -1.168580851e-01 2.50 -9.290378297e-02 2.52 -7.092900187e-02 2.54 -5.088601352e-02 2.56 -3.271189222e-02 2.58 -1.633215912e-02 2.60 -1.663854500e-03 2.62 1.138188248e-02 2.64 2.289766256e-02 2.66 3.297806445e-02 2.68 4.171816823e-02 2.70 4.921236459e-02 2.72 5.555339586e-02 2.74 6.083159599e-02 2.76 6.513430287e-02 2.78 6.854541168e-02 2.80 7.114505079e-02 2.82 7.300936089e-02 2.84 7.421035627e-02 2.86 7.481585922e-02 2.88 7.488949180e-02 2.90 7.449071291e-02 2.92 7.367489629e-02 2.94 7.249343650e-02 2.96 7.099387817e-02 2.98 6.922006466e-02 3.00 6.721229733e-02 3.02 6.500750470e-02 3.04 6.263941751e-02 3.06 6.013874467e-02 3.08 5.753335107e-02 3.10 5.484843323e-02 3.12 5.210669099e-02 3.14 4.932849634e-02 3.16 4.653205591e-02 3.18 4.373356737e-02 3.20 4.094737032e-02 3.22 3.818608915e-02 3.24 3.546076937e-02 3.26 3.278100704e-02 3.28 3.015507005e-02 3.30 2.759001313e-02 3.32 2.509178548e-02 3.34 2.266533116e-02 3.36 2.031468352e-02 3.38 1.804305267e-02 3.40 1.585290672e-02 3.42 1.374604759e-02 3.44 1.172368070e-02 3.46 9.786479478e-03 3.48 7.934645038e-03 3.50 6.167960622e-03 3.52 4.485841952e-03 3.54 2.887383261e-03 3.56 1.371399183e-03 3.58 -6.353672957e-05 3.60 -1.419057167e-03 3.62 -2.696969395e-03 3.64 -3.899226403e-03 3.66 -5.027901006e-03 3.68 -6.085162409e-03 3.70 -7.073255083e-03 3.72 -7.994479950e-03 3.74 -8.851177444e-03 3.76 -9.645712442e-03 3.78 -1.038046097e-02 3.80 -1.105779834e-02 3.82 -1.168008877e-02 3.84 -1.224967631e-02 3.86 -1.276887688e-02 3.88 -1.323997144e-02 3.90 -1.366520015e-02 3.92 -1.404675732e-02 3.94 -1.438678724e-02 3.96 -1.468738075e-02 3.98 -1.495057235e-02 4.00 -1.517833801e-02 4.02 -1.537259343e-02 4.04 -1.553519280e-02 4.06 -1.566792798e-02 4.08 -1.577252798e-02 4.10 -1.585065888e-02 4.12 -1.590392397e-02 4.14 -1.593386410e-02 4.16 -1.594195838e-02 4.18 -1.592962491e-02 4.20 -1.589822181e-02 4.22 -1.584904829e-02 4.24 -1.578334592e-02 4.26 -1.573458419e-02 4.28 -1.633110035e-02 4.30 -1.914222092e-02 4.32 -2.425684568e-02 4.34 -2.518793466e-02 4.36 -2.452836196e-02 4.38 -2.388626795e-02 4.40 -2.326110609e-02 4.42 -2.265235642e-02 4.44 -2.205952360e-02 4.46 -2.148213506e-02 4.48 -2.091973944e-02 4.50 -2.037190500e-02 4.52 -1.983821833e-02 4.54 -1.931828301e-02 4.56 -1.881171850e-02 4.58 -1.831815908e-02 4.60 -1.783725286e-02 4.62 -1.736866095e-02 4.64 -1.691205657e-02 4.66 -1.646712438e-02 4.68 -1.603355976e-02 4.70 -1.561106820e-02 4.72 -1.519936470e-02 4.74 -1.479817329e-02 4.76 -1.440722652e-02 4.78 -1.402626501e-02 4.80 -1.365503707e-02 4.82 -1.329329829e-02 4.84 -1.294081122e-02 4.86 -1.259734504e-02 4.88 -1.226267526e-02 4.90 -1.193658347e-02 4.92 -1.168667850e-02 4.94 -1.231004314e-02 4.96 -1.486000293e-02 4.98 -1.479459825e-02 5.00 -2.507316496e-23 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00