# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti-Co # implementation = 2025--Sharifi-H--Ni-Ti-Co--LAMMPS--ipr1 # composition = CoNi2Ti # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 4.862482371e+02 4.862482371e+02 1.00 4.629873396e+02 4.629873396e+02 1.02 4.399067116e+02 4.399067116e+02 1.04 4.169933800e+02 4.169933800e+02 1.06 3.942898079e+02 3.942898079e+02 1.08 3.718713759e+02 3.718713759e+02 1.10 3.498299864e+02 3.498299864e+02 1.12 3.282624160e+02 3.282624160e+02 1.14 3.072623060e+02 3.072623060e+02 1.16 2.869149175e+02 2.869149175e+02 1.18 2.672939611e+02 2.672939611e+02 1.20 2.484599549e+02 2.484599549e+02 1.22 2.304596919e+02 2.304596919e+02 1.24 2.133264823e+02 2.133264823e+02 1.26 1.970809226e+02 1.970809226e+02 1.28 1.817319988e+02 1.817319988e+02 1.30 1.672783766e+02 1.672783766e+02 1.32 1.537097776e+02 1.537097776e+02 1.34 1.410083602e+02 1.410083602e+02 1.36 1.291500543e+02 1.291500543e+02 1.38 1.181058140e+02 1.181058140e+02 1.40 1.078427646e+02 1.078427646e+02 1.42 9.832523290e+01 9.832523290e+01 1.44 8.951565645e+01 8.951565645e+01 1.46 8.137537116e+01 8.137537116e+01 1.48 7.386528371e+01 7.386528371e+01 1.50 6.694643446e+01 6.694643446e+01 1.52 6.058046079e+01 6.058046079e+01 1.54 5.472996963e+01 5.472996963e+01 1.56 4.935882926e+01 4.935882926e+01 1.58 4.443239049e+01 4.443239049e+01 1.60 3.991764612e+01 3.991764612e+01 1.62 3.578333790e+01 3.578333790e+01 1.64 3.200001919e+01 3.200001919e+01 1.66 2.854008023e+01 2.854008023e+01 1.68 2.537774346e+01 2.537774346e+01 1.70 2.248903418e+01 2.248903418e+01 1.72 1.985173179e+01 1.985173179e+01 1.74 1.744530515e+01 1.744530515e+01 1.76 1.525080412e+01 1.525080412e+01 1.78 1.325070447e+01 1.325070447e+01 1.80 1.142881214e+01 1.142881214e+01 1.82 9.770191932e+00 9.770191932e+00 1.84 8.261093997e+00 8.261093997e+00 1.86 6.888879462e+00 6.888879462e+00 1.88 5.641946752e+00 5.641946752e+00 1.90 4.509656515e+00 4.509656515e+00 1.92 3.482251963e+00 3.482251963e+00 1.94 2.550785537e+00 2.550785537e+00 1.96 1.707052674e+00 1.707052674e+00 1.98 9.435308910e-01 9.435308910e-01 2.00 2.533239196e-01 2.533239196e-01 2.02 -3.698895077e-01 -3.698895077e-01 2.04 -9.319028057e-01 -9.319028057e-01 2.06 -1.438024742e+00 -1.438024742e+00 2.08 -1.893117708e+00 -1.893117708e+00 2.10 -2.301624688e+00 -2.301624688e+00 2.12 -2.667611072e+00 -2.667611072e+00 2.14 -2.994801472e+00 -2.994801472e+00 2.16 -3.286613280e+00 -3.286613280e+00 2.18 -3.546288877e+00 -3.546288877e+00 2.20 -3.776882829e+00 -3.776882829e+00 2.22 -3.981167093e+00 -3.981167093e+00 2.24 -4.161652581e+00 -4.161652581e+00 2.26 -4.320613042e+00 -4.320613042e+00 2.28 -4.460106807e+00 -4.460106807e+00 2.30 -4.581996330e+00 -4.581996330e+00 2.32 -4.687957178e+00 -4.687957178e+00 2.34 -4.779493775e+00 -4.779493775e+00 2.36 -4.857967127e+00 -4.857967127e+00 2.38 -4.924608928e+00 -4.924608928e+00 2.40 -4.980533589e+00 -4.980533589e+00 2.42 -5.026748353e+00 -5.026748353e+00 2.44 -5.064101938e+00 -5.064101938e+00 2.46 -5.093265803e+00 -5.093265803e+00 2.48 -5.114850453e+00 -5.114850453e+00 2.50 -5.129420806e+00 -5.129420806e+00 2.52 -5.137500000e+00 -5.137500000e+00 2.54 -5.139572864e+00 -5.139572864e+00 2.56 -5.136089080e+00 -5.136089080e+00 2.58 -5.127466064e+00 -5.127466064e+00 2.60 -5.114091604e+00 -5.114091604e+00 2.62 -5.096326251e+00 -5.096326251e+00 2.64 -5.074505518e+00 -5.074505518e+00 2.66 -5.048941878e+00 -5.048941878e+00 2.68 -5.019926596e+00 -5.019926596e+00 2.70 -4.987731405e+00 -4.987731405e+00 2.72 -4.952610033e+00 -4.952610033e+00 2.74 -4.914799606e+00 -4.914799606e+00 2.76 -4.874521927e+00 -4.874521927e+00 2.78 -4.831984645e+00 -4.831984645e+00 2.80 -4.787382315e+00 -4.787382315e+00 2.82 -4.740897374e+00 -4.740897374e+00 2.84 -4.692701018e+00 -4.692701018e+00 2.86 -4.642954009e+00 -4.642954009e+00 2.88 -4.591807407e+00 -4.591807407e+00 2.90 -4.539403245e+00 -4.539403245e+00 2.92 -4.485875142e+00 -4.485875142e+00 2.94 -4.431348873e+00 -4.431348873e+00 2.96 -4.375942898e+00 -4.375942898e+00 2.98 -4.319768842e+00 -4.319768842e+00 3.00 -4.262931947e+00 -4.262931947e+00 3.02 -4.205531487e+00 -4.205531487e+00 3.04 -4.147661152e+00 -4.147661152e+00 3.06 -4.089409399e+00 -4.089409399e+00 3.08 -4.030859776e+00 -4.030859776e+00 3.10 -3.972091224e+00 -3.972091224e+00 3.12 -3.913178346e+00 -3.913178346e+00 3.14 -3.854191662e+00 -3.854191662e+00 3.16 -3.795197840e+00 -3.795197840e+00 3.18 -3.736259909e+00 -3.736259909e+00 3.20 -3.677437459e+00 -3.677437459e+00 3.22 -3.618786818e+00 -3.618786818e+00 3.24 -3.560361221e+00 -3.560361221e+00 3.26 -3.502210968e+00 -3.502210968e+00 3.28 -3.444383560e+00 -3.444383560e+00 3.30 -3.386923842e+00 -3.386923842e+00 3.32 -3.329874115e+00 -3.329874115e+00 3.34 -3.273274260e+00 -3.273274260e+00 3.36 -3.217161838e+00 -3.217161838e+00 3.38 -3.161572195e+00 -3.161572195e+00 3.40 -3.106538551e+00 -3.106538551e+00 3.42 -3.052092093e+00 -3.052092093e+00 3.44 -2.998262057e+00 -2.998262057e+00 3.46 -2.945075805e+00 -2.945075805e+00 3.48 -2.892558905e+00 -2.892558905e+00 3.50 -2.840735195e+00 -2.840735195e+00 3.52 -2.789626856e+00 -2.789626856e+00 3.54 -2.739254467e+00 -2.739254467e+00 3.56 -2.689637062e+00 -2.689637062e+00 3.58 -2.640792173e+00 -2.640792173e+00 3.60 -2.592735861e+00 -2.592735861e+00 3.62 -2.545482731e+00 -2.545482731e+00 3.64 -2.499045920e+00 -2.499045920e+00 3.66 -2.453437064e+00 -2.453437064e+00 3.68 -2.408666222e+00 -2.408666222e+00 3.70 -2.364741761e+00 -2.364741761e+00 3.72 -2.321670190e+00 -2.321670190e+00 3.74 -2.279455946e+00 -2.279455946e+00 3.76 -2.238101126e+00 -2.238101126e+00 3.78 -2.197605166e+00 -2.197605166e+00 3.80 -2.157964495e+00 -2.157964495e+00 3.82 -2.119172162e+00 -2.119172162e+00 3.84 -2.081217474e+00 -2.081217474e+00 3.86 -2.044085674e+00 -2.044085674e+00 3.88 -2.007757699e+00 -2.007757699e+00 3.90 -1.972210037e+00 -1.972210037e+00 3.92 -1.937414752e+00 -1.937414752e+00 3.94 -1.903339659e+00 -1.903339659e+00 3.96 -1.869948713e+00 -1.869948713e+00 3.98 -1.837202574e+00 -1.837202574e+00 4.00 -1.805059375e+00 -1.805059375e+00 4.02 -1.773475640e+00 -1.773475640e+00 4.04 -1.742407339e+00 -1.742407339e+00 4.06 -1.711811024e+00 -1.711811024e+00 4.08 -1.681644994e+00 -1.681644994e+00 4.10 -1.651870432e+00 -1.651870432e+00 4.12 -1.622452457e+00 -1.622452457e+00 4.14 -1.593361018e+00 -1.593361018e+00 4.16 -1.564571588e+00 -1.564571588e+00 4.18 -1.536065611e+00 -1.536065611e+00 4.20 -1.507830659e+00 -1.507830659e+00 4.22 -1.479860307e+00 -1.479860307e+00 4.24 -1.452153719e+00 -1.452153719e+00 4.26 -1.424244397e+00 -1.424244397e+00 4.28 -1.386638169e+00 -1.386638169e+00 4.30 -1.312523650e+00 -1.312523650e+00 4.32 -1.188315055e+00 -1.188315055e+00 4.34 -1.134356909e+00 -1.134356909e+00 4.36 -1.113282502e+00 -1.113282502e+00 4.38 -1.092459066e+00 -1.092459066e+00 4.40 -1.071899119e+00 -1.071899119e+00 4.42 -1.051613494e+00 -1.051613494e+00 4.44 -1.031611123e+00 -1.031611123e+00 4.46 -1.011898977e+00 -1.011898977e+00 4.48 -9.924821296e-01 -9.924821296e-01 4.50 -9.733639153e-01 -9.733639153e-01 4.52 -9.545461450e-01 -9.545461450e-01 4.54 -9.360293485e-01 -9.360293485e-01 4.56 -9.178130191e-01 -9.178130191e-01 4.58 -8.998958409e-01 -8.998958409e-01 4.60 -8.822758874e-01 -8.822758874e-01 4.62 -8.649507856e-01 -8.649507856e-01 4.64 -8.479178453e-01 -8.479178453e-01 4.66 -8.311741562e-01 -8.311741562e-01 4.68 -8.147166587e-01 -8.147166587e-01 4.70 -7.985421922e-01 -7.985421922e-01 4.72 -7.826475293e-01 -7.826475293e-01 4.74 -7.670293969e-01 -7.670293969e-01 4.76 -7.516844914e-01 -7.516844914e-01 4.78 -7.366094880e-01 -7.366094880e-01 4.80 -7.218010471e-01 -7.218010471e-01 4.82 -7.072558193e-01 -7.072558193e-01 4.84 -6.929704483e-01 -6.929704483e-01 4.86 -6.789415739e-01 -6.789415739e-01 4.88 -6.651658337e-01 -6.651658337e-01 4.90 -6.516398651e-01 -6.516398651e-01 4.92 -6.370375724e-01 -6.370375724e-01 4.94 -6.045262712e-01 -6.045262712e-01 4.96 -5.090761942e-01 -5.090761942e-01 4.98 -2.858516848e-01 -2.858516848e-01 5.00 -1.850717138e-22 -1.849942304e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00