# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Mn # implementation = 2025--Sharifi-H--Ni-Mn--LAMMPS--ipr1 # composition = MnNi2 # 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 2025-07-01 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 1.362532579e+03 0.92 1.252729516e+03 0.94 1.151161538e+03 0.96 1.057321970e+03 0.98 9.706076969e+02 1.00 8.855668967e+02 1.02 8.003426352e+02 1.04 7.176304231e+02 1.06 6.391934876e+02 1.08 5.661120250e+02 1.10 4.989634291e+02 1.12 4.379615076e+02 1.14 3.830632821e+02 1.16 3.340503118e+02 1.18 2.905899350e+02 1.20 2.522809234e+02 1.22 2.186870287e+02 1.24 1.893611776e+02 1.26 1.638625233e+02 1.28 1.417680473e+02 1.30 1.226800615e+02 1.32 1.062306485e+02 1.34 9.208384795e+01 1.36 7.993621277e+01 1.38 6.951621226e+01 1.40 6.058286578e+01 1.42 5.292387237e+01 1.44 4.635343746e+01 1.46 4.070995800e+01 1.48 3.585367049e+01 1.50 3.166434305e+01 1.52 2.803906915e+01 1.54 2.489019209e+01 1.56 2.214338740e+01 1.58 1.973591511e+01 1.60 1.761503704e+01 1.62 1.573660120e+01 1.64 1.406378520e+01 1.66 1.256598920e+01 1.68 1.121786832e+01 1.70 9.998491686e+00 1.72 8.890616595e+00 1.74 7.880065362e+00 1.76 6.955164200e+00 1.78 6.106219323e+00 1.80 5.325122193e+00 1.82 4.605050988e+00 1.84 3.940235083e+00 1.86 3.325760713e+00 1.88 2.757411559e+00 1.90 2.231538543e+00 1.92 1.744954265e+00 1.94 1.294848014e+00 1.96 8.787175848e-01 1.98 4.943119819e-01 2.00 1.395624054e-01 2.02 -1.874623757e-01 2.04 -4.885671393e-01 2.06 -7.654385617e-01 2.08 -1.019653097e+00 2.10 -1.252684312e+00 2.12 -1.465909866e+00 2.14 -1.660618012e+00 2.16 -1.838013616e+00 2.18 -1.999216116e+00 2.20 -2.145256842e+00 2.22 -2.277102607e+00 2.24 -2.395662495e+00 2.26 -2.501791386e+00 2.28 -2.596293324e+00 2.30 -2.679924662e+00 2.32 -2.753397005e+00 2.34 -2.817379993e+00 2.36 -2.872503903e+00 2.38 -2.919362067e+00 2.40 -2.958513162e+00 2.42 -2.990483319e+00 2.44 -3.015768089e+00 2.46 -3.034834358e+00 2.48 -3.048121348e+00 2.50 -3.056044265e+00 2.52 -3.059008833e+00 2.54 -3.057376559e+00 2.56 -3.051495299e+00 2.58 -3.041692360e+00 2.60 -3.028275666e+00 2.62 -3.011534844e+00 2.64 -2.991742208e+00 2.66 -2.969153660e+00 2.68 -2.944009507e+00 2.70 -2.916535205e+00 2.72 -2.886942051e+00 2.74 -2.855427837e+00 2.76 -2.822177494e+00 2.78 -2.787363747e+00 2.80 -2.751147797e+00 2.82 -2.713680037e+00 2.84 -2.675100806e+00 2.86 -2.635541148e+00 2.88 -2.595123576e+00 2.90 -2.553962794e+00 2.92 -2.512166357e+00 2.94 -2.469835251e+00 2.96 -2.427064385e+00 2.98 -2.383942977e+00 3.00 -2.340554877e+00 3.02 -2.296970809e+00 3.04 -2.253172373e+00 3.06 -2.209213696e+00 3.08 -2.165518632e+00 3.10 -2.121905812e+00 3.12 -2.078426501e+00 3.14 -2.035132523e+00 3.16 -1.992071809e+00 3.18 -1.949288576e+00 3.20 -1.906823527e+00 3.22 -1.864714028e+00 3.24 -1.822994298e+00 3.26 -1.781695580e+00 3.28 -1.740846307e+00 3.30 -1.700472261e+00 3.32 -1.660596727e+00 3.34 -1.621240632e+00 3.36 -1.582422688e+00 3.38 -1.544159514e+00 3.40 -1.506465765e+00 3.42 -1.469354250e+00 3.44 -1.432836039e+00 3.46 -1.396920574e+00 3.48 -1.361615767e+00 3.50 -1.326928097e+00 3.52 -1.292862702e+00 3.54 -1.259423465e+00 3.56 -1.226613098e+00 3.58 -1.194433217e+00 3.60 -1.162884421e+00 3.62 -1.131966360e+00 3.64 -1.101677802e+00 3.66 -1.072016701e+00 3.68 -1.042980251e+00 3.70 -1.014564948e+00 3.72 -9.867666440e-01 3.74 -9.595805975e-01 3.76 -9.330015231e-01 3.78 -9.070236374e-01 3.80 -8.816407030e-01 3.82 -8.568460700e-01 3.84 -8.326327148e-01 3.86 -8.089932772e-01 3.88 -7.859200952e-01 3.90 -7.634052380e-01 3.92 -7.414405365e-01 3.94 -7.200176127e-01 3.96 -6.991279069e-01 3.98 -6.787627037e-01 4.00 -6.589131555e-01 4.02 -6.395703056e-01 4.04 -6.207251091e-01 4.06 -6.023684528e-01 4.08 -5.844911734e-01 4.10 -5.670840750e-01 4.12 -5.501379450e-01 4.14 -5.336435689e-01 4.16 -5.175917444e-01 4.18 -5.019732937e-01 4.20 -4.867790761e-01 4.22 -4.719999981e-01 4.24 -4.576270242e-01 4.26 -4.434933323e-01 4.28 -4.263949907e-01 4.30 -3.944290065e-01 4.32 -3.052267021e-01 4.34 -2.647370970e-01 4.36 -2.563088946e-01 4.38 -2.481383804e-01 4.40 -2.402181798e-01 4.42 -2.325411019e-01 4.44 -2.251001362e-01 4.46 -2.178884500e-01 4.48 -2.108993856e-01 4.50 -2.041264571e-01 4.52 -1.975633475e-01 4.54 -1.912039053e-01 4.56 -1.850421416e-01 4.58 -1.790722269e-01 4.60 -1.732884877e-01 4.62 -1.676854032e-01 4.64 -1.622576026e-01 4.66 -1.569998611e-01 4.68 -1.519070973e-01 4.70 -1.469743697e-01 4.72 -1.421968735e-01 4.74 -1.375699377e-01 4.76 -1.330890217e-01 4.78 -1.287497121e-01 4.80 -1.245477202e-01 4.82 -1.204788783e-01 4.84 -1.165391373e-01 4.86 -1.127245632e-01 4.88 -1.090313348e-01 4.90 -1.054557404e-01 4.92 -1.016858407e-01 4.94 -9.392162730e-02 4.96 -7.336210258e-02 4.98 -3.399051206e-02 5.00 -2.376612785e-24 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