# 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 = CoNiTi2 # 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 3.271728826e+02 3.271728826e+02 1.00 3.190317345e+02 3.190317345e+02 1.02 3.108784736e+02 3.108784736e+02 1.04 3.026134502e+02 3.026134502e+02 1.06 2.940088081e+02 2.940088081e+02 1.08 2.849473664e+02 2.849473664e+02 1.10 2.753914470e+02 2.753914470e+02 1.12 2.653587081e+02 2.653587081e+02 1.14 2.549036195e+02 2.549036195e+02 1.16 2.441034215e+02 2.441034215e+02 1.18 2.330476425e+02 2.330476425e+02 1.20 2.218304106e+02 2.218304106e+02 1.22 2.105449552e+02 2.105449552e+02 1.24 1.992798070e+02 1.992798070e+02 1.26 1.881163048e+02 1.881163048e+02 1.28 1.771270971e+02 1.771270971e+02 1.30 1.663753871e+02 1.663753871e+02 1.32 1.559147278e+02 1.559147278e+02 1.34 1.457892104e+02 1.457892104e+02 1.36 1.360339245e+02 1.360339245e+02 1.38 1.266755997e+02 1.266755997e+02 1.40 1.177333551e+02 1.177333551e+02 1.42 1.092195017e+02 1.092195017e+02 1.44 1.011403624e+02 1.011403624e+02 1.46 9.349707408e+01 9.349707408e+01 1.48 8.628635670e+01 8.628635670e+01 1.50 7.950123397e+01 7.950123397e+01 1.52 7.313169068e+01 7.313169068e+01 1.54 6.716523551e+01 6.716523551e+01 1.56 6.158742026e+01 6.158742026e+01 1.58 5.638233128e+01 5.638233128e+01 1.60 5.153302119e+01 5.153302119e+01 1.62 4.702188097e+01 4.702188097e+01 1.64 4.283095741e+01 4.283095741e+01 1.66 3.894222022e+01 3.894222022e+01 1.68 3.533778375e+01 3.533778375e+01 1.70 3.200008792e+01 3.200008792e+01 1.72 2.891204305e+01 2.891204305e+01 1.74 2.605714295e+01 2.605714295e+01 1.76 2.341955043e+01 2.341955043e+01 1.78 2.098415847e+01 2.098415847e+01 1.80 1.873663049e+01 1.873663049e+01 1.82 1.666342668e+01 1.666342668e+01 1.84 1.475181425e+01 1.475181425e+01 1.86 1.298986521e+01 1.298986521e+01 1.88 1.136644461e+01 1.136644461e+01 1.90 9.871188096e+00 9.871188096e+00 1.92 8.494466456e+00 8.494466456e+00 1.94 7.227349312e+00 7.227349312e+00 1.96 6.061569425e+00 6.061569425e+00 1.98 4.989486785e+00 4.989486785e+00 2.00 4.004053956e+00 4.004053956e+00 2.02 3.098782197e+00 3.098782197e+00 2.04 2.267680932e+00 2.267680932e+00 2.06 1.505210455e+00 1.505210455e+00 2.08 8.062486878e-01 8.062486878e-01 2.10 1.660688059e-01 1.660688059e-01 2.12 -4.196984428e-01 -4.196984428e-01 2.14 -9.550978504e-01 -9.550978504e-01 2.16 -1.443874306e+00 -1.443874306e+00 2.18 -1.889495357e+00 -1.889495357e+00 2.20 -2.295172098e+00 -2.295172098e+00 2.22 -2.663878429e+00 -2.663878429e+00 2.24 -2.998368823e+00 -2.998368823e+00 2.26 -3.301194782e+00 -3.301194782e+00 2.28 -3.574719996e+00 -3.574719996e+00 2.30 -3.821134364e+00 -3.821134364e+00 2.32 -4.042466966e+00 -4.042466966e+00 2.34 -4.240598025e+00 -4.240598025e+00 2.36 -4.417269979e+00 -4.417269979e+00 2.38 -4.574097721e+00 -4.574097721e+00 2.40 -4.712578049e+00 -4.712578049e+00 2.42 -4.834097578e+00 -4.834097578e+00 2.44 -4.939879509e+00 -4.939879509e+00 2.46 -5.030963302e+00 -5.030963302e+00 2.48 -5.108319672e+00 -5.108319672e+00 2.50 -5.172890195e+00 -5.172890195e+00 2.52 -5.225695093e+00 -5.225695093e+00 2.54 -5.267722451e+00 -5.267722451e+00 2.56 -5.299908797e+00 -5.299908797e+00 2.58 -5.323135262e+00 -5.323135262e+00 2.60 -5.338206954e+00 -5.338206954e+00 2.62 -5.345858744e+00 -5.345858744e+00 2.64 -5.346761387e+00 -5.346761387e+00 2.66 -5.341527114e+00 -5.341527114e+00 2.68 -5.330714753e+00 -5.330714753e+00 2.70 -5.314834414e+00 -5.314834414e+00 2.72 -5.294351774e+00 -5.294351774e+00 2.74 -5.269691999e+00 -5.269691999e+00 2.76 -5.241243321e+00 -5.241243321e+00 2.78 -5.209360308e+00 -5.209360308e+00 2.80 -5.174366848e+00 -5.174366848e+00 2.82 -5.136558867e+00 -5.136558867e+00 2.84 -5.096206803e+00 -5.096206803e+00 2.86 -5.053557866e+00 -5.053557866e+00 2.88 -5.008838091e+00 -5.008838091e+00 2.90 -4.962254214e+00 -4.962254214e+00 2.92 -4.913995381e+00 -4.913995381e+00 2.94 -4.864234710e+00 -4.864234710e+00 2.96 -4.813130719e+00 -4.813130719e+00 2.98 -4.760828627e+00 -4.760828627e+00 3.00 -4.707461544e+00 -4.707461544e+00 3.02 -4.653151558e+00 -4.653151558e+00 3.04 -4.598010726e+00 -4.598010726e+00 3.06 -4.542141974e+00 -4.542141974e+00 3.08 -4.485639918e+00 -4.485639918e+00 3.10 -4.428591610e+00 -4.428591610e+00 3.12 -4.371077214e+00 -4.371077214e+00 3.14 -4.313170625e+00 -4.313170625e+00 3.16 -4.254940028e+00 -4.254940028e+00 3.18 -4.196448399e+00 -4.196448399e+00 3.20 -4.137753971e+00 -4.137753971e+00 3.22 -4.078910646e+00 -4.078910646e+00 3.24 -4.019968369e+00 -4.019968369e+00 3.26 -3.960973463e+00 -3.960973463e+00 3.28 -3.901968940e+00 -3.901968940e+00 3.30 -3.842994764e+00 -3.842994764e+00 3.32 -3.784088107e+00 -3.784088107e+00 3.34 -3.725283573e+00 -3.725283573e+00 3.36 -3.666613404e+00 -3.666613404e+00 3.38 -3.608107687e+00 -3.608107687e+00 3.40 -3.549794536e+00 -3.549794536e+00 3.42 -3.491700289e+00 -3.491700289e+00 3.44 -3.433849694e+00 -3.433849694e+00 3.46 -3.376266101e+00 -3.376266101e+00 3.48 -3.318971657e+00 -3.318971657e+00 3.50 -3.261987500e+00 -3.261987500e+00 3.52 -3.205333957e+00 -3.205333957e+00 3.54 -3.149030737e+00 -3.149030737e+00 3.56 -3.093097112e+00 -3.093097112e+00 3.58 -3.037552100e+00 -3.037552100e+00 3.60 -2.982414619e+00 -2.982414619e+00 3.62 -2.927703633e+00 -2.927703633e+00 3.64 -2.873438261e+00 -2.873438261e+00 3.66 -2.819637864e+00 -2.819637864e+00 3.68 -2.766322084e+00 -2.766322084e+00 3.70 -2.713510839e+00 -2.713510839e+00 3.72 -2.661224262e+00 -2.661224262e+00 3.74 -2.609482579e+00 -2.609482579e+00 3.76 -2.558305922e+00 -2.558305922e+00 3.78 -2.507714076e+00 -2.507714076e+00 3.80 -2.457726167e+00 -2.457726167e+00 3.82 -2.408360307e+00 -2.408360307e+00 3.84 -2.359633212e+00 -2.359633212e+00 3.86 -2.311559815e+00 -2.311559815e+00 3.88 -2.264152920e+00 -2.264152920e+00 3.90 -2.217422911e+00 -2.217422911e+00 3.92 -2.171377556e+00 -2.171377556e+00 3.94 -2.126021925e+00 -2.126021925e+00 3.96 -2.081358439e+00 -2.081358439e+00 3.98 -2.037387049e+00 -2.037387049e+00 4.00 -1.994105526e+00 -1.994105526e+00 4.02 -1.951509857e+00 -1.951509857e+00 4.04 -1.909594692e+00 -1.909594692e+00 4.06 -1.868353828e+00 -1.868353828e+00 4.08 -1.827780671e+00 -1.827780671e+00 4.10 -1.787868655e+00 -1.787868655e+00 4.12 -1.748611589e+00 -1.748611589e+00 4.14 -1.710003902e+00 -1.710003902e+00 4.16 -1.672040786e+00 -1.672040786e+00 4.18 -1.634718239e+00 -1.634718239e+00 4.20 -1.598033004e+00 -1.598033004e+00 4.22 -1.561982432e+00 -1.561982432e+00 4.24 -1.526564284e+00 -1.526564284e+00 4.26 -1.490351490e+00 -1.490351490e+00 4.28 -1.423402389e+00 -1.423402389e+00 4.30 -1.230835772e+00 -1.230835772e+00 4.32 -8.531633428e-01 -8.531633428e-01 4.34 -7.448451013e-01 -7.448451013e-01 4.36 -7.230934931e-01 -7.230934931e-01 4.38 -7.022280932e-01 -7.022280932e-01 4.40 -6.821996344e-01 -6.821996344e-01 4.42 -6.629582179e-01 -6.629582179e-01 4.44 -6.444541649e-01 -6.444541649e-01 4.46 -6.266387932e-01 -6.266387932e-01 4.48 -6.094650967e-01 -6.094650967e-01 4.50 -5.928883125e-01 -5.928883125e-01 4.52 -5.768663672e-01 -5.768663672e-01 4.54 -5.613602001e-01 -5.613602001e-01 4.56 -5.463339680e-01 -5.463339680e-01 4.58 -5.317551382e-01 -5.317551382e-01 4.60 -5.175944827e-01 -5.175944827e-01 4.62 -5.038259875e-01 -5.038259875e-01 4.64 -4.904266923e-01 -4.904266923e-01 4.66 -4.773764773e-01 -4.773764773e-01 4.68 -4.646578128e-01 -4.646578128e-01 4.70 -4.522554870e-01 -4.522554870e-01 4.72 -4.401563244e-01 -4.401563244e-01 4.74 -4.283489079e-01 -4.283489079e-01 4.76 -4.168233118e-01 -4.168233118e-01 4.78 -4.055708556e-01 -4.055708556e-01 4.80 -3.945838797e-01 -3.945838797e-01 4.82 -3.838555497e-01 -3.838555497e-01 4.84 -3.733796873e-01 -3.733796873e-01 4.86 -3.631506288e-01 -3.631506288e-01 4.88 -3.531631089e-01 -3.531631089e-01 4.90 -3.434121681e-01 -3.434121681e-01 4.92 -3.332741785e-01 -3.332741785e-01 4.94 -3.149616297e-01 -3.149616297e-01 4.96 -2.673016492e-01 -2.673016492e-01 4.98 -1.551543049e-01 -1.551543049e-01 5.00 -1.916492250e-22 -1.914862858e-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