# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ni # implementation = 2025--Sharifi-H--Co-Ni--LAMMPS--ipr1 # composition = Co3Ni # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 7.635435152e+02 nan nan 0.92 6.860884078e+02 nan nan 0.94 6.154205727e+02 nan nan 0.96 5.513582824e+02 nan nan 0.98 4.935754997e+02 7.271306072e+02 nan 1.00 4.416612578e+02 6.611117227e+02 nan 1.02 3.951615843e+02 6.010828605e+02 7.575444009e+02 1.04 3.536085446e+02 5.465975336e+02 6.984460993e+02 1.06 3.164444752e+02 4.969553430e+02 6.439660196e+02 1.08 2.827859786e+02 4.505501158e+02 5.918714494e+02 1.10 2.523622167e+02 4.073586879e+02 5.423234551e+02 1.12 2.249661194e+02 3.674705676e+02 4.956594336e+02 1.14 2.003719737e+02 3.308657107e+02 4.520515817e+02 1.16 1.783477327e+02 2.974478543e+02 4.115514506e+02 1.18 1.586636307e+02 2.670699055e+02 3.741245649e+02 1.20 1.410979786e+02 2.395529738e+02 3.396769168e+02 1.22 1.254408817e+02 2.147004814e+02 3.080750610e+02 1.24 1.114964322e+02 1.923084667e+02 2.791611718e+02 1.26 9.908380837e+01 1.721729801e+02 2.527641860e+02 1.28 8.803759579e+01 1.540952520e+02 2.287078944e+02 1.30 7.820757011e+01 1.378851749e+02 2.068166873e+02 1.32 6.945812034e+01 1.233635196e+02 1.869195116e+02 1.34 6.166743974e+01 1.103632074e+02 1.688524774e+02 1.36 5.472658610e+01 9.872989345e+01 1.524604667e+02 1.38 4.853847610e+01 8.832204899e+01 1.375980097e+02 1.40 4.301686455e+01 7.901069472e+01 1.241296430e+02 1.42 3.808534132e+01 7.067889592e+01 1.119299072e+02 1.44 3.367636818e+01 6.322110189e+01 1.008831018e+02 1.46 2.973037075e+01 5.654239617e+01 9.088288235e+01 1.48 2.619489222e+01 5.055770136e+01 8.183176276e+01 1.50 2.302381489e+01 4.519097228e+01 7.364058086e+01 1.52 2.017664868e+01 4.037439535e+01 6.622795068e+01 1.54 1.761788527e+01 3.604756376e+01 5.951971415e+01 1.56 1.531641343e+01 3.215672289e+01 5.344840743e+01 1.58 1.324493622e+01 2.865411508e+01 4.795274941e+01 1.60 1.137939556e+01 2.549737274e+01 4.297715368e+01 1.62 9.698569159e+00 2.264895905e+01 3.847126881e+01 1.64 8.183741414e+00 2.007565547e+01 3.438954615e+01 1.66 6.818407128e+00 1.774809439e+01 3.069083402e+01 1.68 5.587928761e+00 1.564033607e+01 2.733799974e+01 1.70 4.479164217e+00 1.372948633e+01 2.429757691e+01 1.72 3.480281790e+00 1.199535238e+01 2.153943720e+01 1.74 2.580630789e+00 1.042013406e+01 1.903648625e+01 1.76 1.770624401e+00 8.988126376e+00 1.676435222e+01 1.78 1.041633770e+00 7.685389955e+00 1.470105117e+01 1.80 3.858923636e-01 6.499473814e+00 1.282674622e+01 1.82 -2.035903039e-01 5.419243312e+00 1.112355253e+01 1.84 -7.331063323e-01 4.434741033e+00 9.575358137e+00 1.86 -1.208319445e+00 3.537061817e+00 8.167658794e+00 1.88 -1.634328043e+00 2.718240696e+00 6.887406111e+00 1.90 -2.015721891e+00 1.971152831e+00 5.722868772e+00 1.92 -2.356633143e+00 1.289423936e+00 4.663505524e+00 1.94 -2.660782236e+00 6.673501774e-01 3.699849248e+00 1.96 -2.931519146e+00 9.982670158e-02 2.823401535e+00 1.98 -3.171860526e+00 -4.177163579e-01 2.026536620e+00 2.00 -3.384523115e+00 -8.893691410e-01 1.302414174e+00 2.02 -3.571953794e+00 -1.318779820e+00 6.449002109e-01 2.04 -3.736359277e+00 -1.709218409e+00 4.848483355e-02 2.06 -3.879745142e+00 -2.063670392e+00 -4.918490221e-01 2.08 -4.003921220e+00 -2.384893020e+00 -9.807147100e-01 2.10 -4.110525653e+00 -2.675434657e+00 -1.422355699e+00 2.12 -4.201063238e+00 -2.937650822e+00 -1.820674377e+00 2.14 -4.276917217e+00 -3.173719000e+00 -2.179258833e+00 2.16 -4.339359091e+00 -3.385652284e+00 -2.501407710e+00 2.18 -4.389557643e+00 -3.575311747e+00 -2.790153176e+00 2.20 -4.428587217e+00 -3.744416682e+00 -3.048282208e+00 2.22 -4.457435323e+00 -3.894556452e+00 -3.278356236e+00 2.24 -4.477009625e+00 -4.027201235e+00 -3.482729259e+00 2.26 -4.488144364e+00 -4.143711066e+00 -3.663564572e+00 2.28 -4.491606251e+00 -4.245344161e+00 -3.822850162e+00 2.30 -4.488099893e+00 -4.333264354e+00 -3.962412506e+00 2.32 -4.478272774e+00 -4.408539111e+00 -4.083916006e+00 2.34 -4.462719834e+00 -4.472145419e+00 -4.188873985e+00 2.36 -4.441987681e+00 -4.524988583e+00 -4.278678849e+00 2.38 -4.416578463e+00 -4.567908299e+00 -4.354612959e+00 2.40 -4.386953429e+00 -4.601683450e+00 -4.417857400e+00 2.42 -4.353536198e+00 -4.627036538e+00 -4.469500055e+00 2.44 -4.316715777e+00 -4.644637800e+00 -4.510543030e+00 2.46 -4.276849329e+00 -4.655108997e+00 -4.541909468e+00 2.48 -4.234264721e+00 -4.659026943e+00 -4.564449833e+00 2.50 -4.189262870e+00 -4.656926756e+00 -4.578947681e+00 2.52 -4.142119754e+00 -4.649304481e+00 -4.586124358e+00 2.54 -4.093088003e+00 -4.636618851e+00 -4.586642343e+00 2.56 -4.042399267e+00 -4.619295304e+00 -4.581111864e+00 2.58 -3.990266032e+00 -4.597728764e+00 -4.570095606e+00 2.60 -3.936883153e+00 -4.572285823e+00 -4.554112432e+00 2.62 -3.882429254e+00 -4.543306749e+00 -4.533640806e+00 2.64 -3.827068018e+00 -4.511107366e+00 -4.509121944e+00 2.66 -3.770949377e+00 -4.475980783e+00 -4.480962715e+00 2.68 -3.714210606e+00 -4.438199004e+00 -4.449538308e+00 2.70 -3.656977326e+00 -4.398014422e+00 -4.415194686e+00 2.72 -3.599364430e+00 -4.355661204e+00 -4.378250852e+00 2.74 -3.541349229e+00 -4.311356570e+00 -4.339000919e+00 2.76 -3.482016557e+00 -4.265301988e+00 -4.297716037e+00 2.78 -3.422792158e+00 -4.217684276e+00 -4.254646145e+00 2.80 -3.364705267e+00 -4.168676625e+00 -4.210021599e+00 2.82 -3.306678600e+00 -4.118439553e+00 -4.164054663e+00 2.84 -3.248778405e+00 -4.067121781e+00 -4.116940883e+00 2.86 -3.191064959e+00 -4.014861061e+00 -4.068860350e+00 2.88 -3.133593038e+00 -3.961784930e+00 -4.019978865e+00 2.90 -3.076412363e+00 -3.908011424e+00 -3.970449008e+00 2.92 -3.019568001e+00 -3.853649734e+00 -3.920411122e+00 2.94 -2.963100745e+00 -3.798800820e+00 -3.869994216e+00 2.96 -2.907047448e+00 -3.743557983e+00 -3.819316798e+00 2.98 -2.851441353e+00 -3.688007393e+00 -3.768487637e+00 3.00 -2.796312375e+00 -3.632228588e+00 -3.717606464e+00 3.02 -2.741687379e+00 -3.576294931e+00 -3.666764613e+00 3.04 -2.687590432e+00 -3.520274036e+00 -3.616045609e+00 3.06 -2.634043028e+00 -3.464228173e+00 -3.565525707e+00 3.08 -2.581064311e+00 -3.408214631e+00 -3.515274381e+00 3.10 -2.528671267e+00 -3.352286065e+00 -3.465354775e+00 3.12 -2.476878915e+00 -3.296490816e+00 -3.415824105e+00 3.14 -2.425700470e+00 -3.240873206e+00 -3.366734032e+00 3.16 -2.375147502e+00 -3.185473814e+00 -3.318130994e+00 3.18 -2.325230086e+00 -3.130329734e+00 -3.270056503e+00 3.20 -2.275956926e+00 -3.075474809e+00 -3.222547419e+00 3.22 -2.227335487e+00 -3.020939857e+00 -3.175636184e+00 3.24 -2.179372107e+00 -2.966752873e+00 -3.129351037e+00 3.26 -2.132072096e+00 -2.912939224e+00 -3.083716200e+00 3.28 -2.085439841e+00 -2.859521824e+00 -3.038752033e+00 3.30 -2.039478889e+00 -2.806521305e+00 -2.994475175e+00 3.32 -1.994192031e+00 -2.753956173e+00 -2.950898660e+00 3.34 -1.949581375e+00 -2.701842949e+00 -2.908032003e+00 3.36 -1.905648419e+00 -2.650196316e+00 -2.865881276e+00 3.38 -1.862394109e+00 -2.599029239e+00 -2.824449155e+00 3.40 -1.819818898e+00 -2.548353092e+00 -2.783734961e+00 3.42 -1.777922798e+00 -2.498177768e+00 -2.743734671e+00 3.44 -1.736705427e+00 -2.448511790e+00 -2.704440928e+00 3.46 -1.696166053e+00 -2.399362411e+00 -2.665843037e+00 3.48 -1.656303631e+00 -2.350735707e+00 -2.627942688e+00 3.50 -1.617116840e+00 -2.302636672e+00 -2.591038382e+00 3.52 -1.578604118e+00 -2.255069297e+00 -2.555379739e+00 3.54 -1.540763688e+00 -2.208036659e+00 -2.519447160e+00 3.56 -1.503593593e+00 -2.161540988e+00 -2.483551107e+00 3.58 -1.467091721e+00 -2.115583748e+00 -2.448246974e+00 3.60 -1.431255831e+00 -2.070165704e+00 -2.413506009e+00 3.62 -1.396083585e+00 -2.025286988e+00 -2.379296958e+00 3.64 -1.361572570e+00 -1.980947170e+00 -2.345586347e+00 3.66 -1.327720329e+00 -1.937145318e+00 -2.312338838e+00 3.68 -1.294524383e+00 -1.893880064e+00 -2.279517681e+00 3.70 -1.261982256e+00 -1.851149672e+00 -2.247085259e+00 3.72 -1.230091502e+00 -1.808952098e+00 -2.215003716e+00 3.74 -1.198849724e+00 -1.767285062e+00 -2.183235670e+00 3.76 -1.168254596e+00 -1.726146120e+00 -2.151744979e+00 3.78 -1.138303874e+00 -1.685532732e+00 -2.120497534e+00 3.80 -1.108995415e+00 -1.645442349e+00 -2.089462044e+00 3.82 -1.080327183e+00 -1.605872487e+00 -2.058610770e+00 3.84 -1.052297256e+00 -1.566820823e+00 -2.027920169e+00 3.86 -1.024903829e+00 -1.528285284e+00 -1.997371400e+00 3.88 -9.981452144e-01 -1.490264144e+00 -1.966950670e+00 3.90 -9.720198378e-01 -1.452756130e+00 -1.936649384e+00 3.92 -9.465262365e-01 -1.415760528e+00 -1.906464100e+00 3.94 -9.216630532e-01 -1.379277287e+00 -1.876396283e+00 3.96 -8.974290315e-01 -1.343307134e+00 -1.846451885e+00 3.98 -8.738230118e-01 -1.307851682e+00 -1.816640771e+00 4.00 -8.508439291e-01 -1.272913532e+00 -1.786976041e+00 4.02 -8.362920397e-01 -1.238496373e+00 -1.757473282e+00 4.04 -9.621599172e-01 -1.204605073e+00 -1.728149799e+00 4.06 -1.071516325e+00 -1.171245758e+00 -1.699023877e+00 4.08 -9.933422024e-01 -1.138425869e+00 -1.670114091e+00 4.10 -9.694455543e-01 -1.106154202e+00 -1.641438713e+00 4.12 -9.476980952e-01 -1.074440930e+00 -1.613015222e+00 4.14 -9.263572038e-01 -1.043297582e+00 -1.584859929e+00 4.16 -9.054187625e-01 -1.012737001e+00 -1.556987719e+00 4.18 -8.848785307e-01 -9.827732594e-01 -1.529411902e+00 4.20 -8.647321623e-01 -9.534215334e-01 -1.502144158e+00 4.22 -8.449752215e-01 -9.246979348e-01 -1.475194554e+00 4.24 -8.256031968e-01 -8.966192981e-01 -1.448571625e+00 4.26 -8.066115117e-01 -8.685744275e-01 -1.422282491e+00 4.28 -7.879955341e-01 -8.279316993e-01 -1.396332993e+00 4.30 -7.697505840e-01 -7.413867246e-01 -1.370727842e+00 4.32 -7.518719386e-01 -6.111077516e-01 -1.345470760e+00 4.34 -7.343548372e-01 -5.667321050e-01 -1.320564608e+00 4.36 -7.171944849e-01 -5.515592362e-01 -1.296011504e+00 4.38 -7.003860552e-01 -5.370385257e-01 -1.271812921e+00 4.40 -6.827487859e-01 -5.231338064e-01 -1.247969767e+00 4.42 -6.432752604e-01 -5.098083534e-01 -1.224482451e+00 4.44 -5.260626979e-01 -4.970254992e-01 -1.201350939e+00 4.46 -3.020699867e-01 -4.847491953e-01 -1.178574797e+00 4.48 -2.013314695e-01 -4.729445071e-01 -1.156153232e+00 4.50 -1.966439849e-01 -4.615780315e-01 -1.134085122e+00 4.52 -1.920717308e-01 -4.506182304e-01 -1.112369046e+00 4.54 -1.876121162e-01 -4.400356794e-01 -1.091003317e+00 4.56 -1.832625930e-01 -4.298032326e-01 -1.069986000e+00 4.58 -1.790206566e-01 -4.198961095e-01 -1.049314945e+00 4.60 -1.748838470e-01 -4.102919093e-01 -1.028987806e+00 4.62 -1.708497494e-01 -4.009705651e-01 -1.009002067e+00 4.64 -1.669159952e-01 -3.919142458e-01 -9.893550614e-01 4.66 -1.630802621e-01 -3.831072184e-01 -9.700439922e-01 4.68 -1.593402749e-01 -3.745356804e-01 -9.510659506e-01 4.70 -1.556938056e-01 -3.661875748e-01 -9.324179311e-01 4.72 -1.521386730e-01 -3.580523948e-01 -9.140968458e-01 4.74 -1.486727431e-01 -3.501209887e-01 -8.960995367e-01 4.76 -1.452939284e-01 -3.423853702e-01 -8.784227849e-01 4.78 -1.420001871e-01 -3.348385402e-01 -8.610633193e-01 4.80 -1.387895230e-01 -3.274743246e-01 -8.440178229e-01 4.82 -1.356599840e-01 -3.202872283e-01 -8.272829376e-01 4.84 -1.326096616e-01 -3.132723092e-01 -8.108552681e-01 4.86 -1.296366895e-01 -3.064250701e-01 -7.947313840e-01 4.88 -1.267392428e-01 -2.997413687e-01 -7.789078225e-01 4.90 -1.239155366e-01 -2.932173443e-01 -7.633810888e-01 4.92 -1.208816079e-01 -2.860842997e-01 -7.463868287e-01 4.94 -1.140723566e-01 -2.687322245e-01 -7.056089838e-01 4.96 -9.434061619e-02 -2.174953781e-01 -5.836497325e-01 4.98 -5.064531534e-02 -1.097581139e-01 -3.121373970e-01 5.00 -3.207677243e-23 -1.276421010e-22 -1.347353579e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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