# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti-Ni # implementation = 2025--Sharifi-H--Fe-Ti-Ni--LAMMPS--ipr1 # composition = FeNiTi2 # 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 3.283730875e+02 3.283730875e+02 1.00 3.233723746e+02 3.233723746e+02 1.02 3.163350505e+02 3.163350505e+02 1.04 3.075461463e+02 3.075461463e+02 1.06 2.972996550e+02 2.972996550e+02 1.08 2.858842106e+02 2.858842106e+02 1.10 2.735733903e+02 2.735733903e+02 1.12 2.606195226e+02 2.606195226e+02 1.14 2.472501153e+02 2.472501153e+02 1.16 2.336662266e+02 2.336662266e+02 1.18 2.200422301e+02 2.200422301e+02 1.20 2.065265631e+02 2.065265631e+02 1.22 1.932431431e+02 1.932431431e+02 1.24 1.802931993e+02 1.802931993e+02 1.26 1.677573446e+02 1.677573446e+02 1.28 1.556977516e+02 1.556977516e+02 1.30 1.441603279e+02 1.441603279e+02 1.32 1.331768310e+02 1.331768310e+02 1.34 1.227668688e+02 1.227668688e+02 1.36 1.129397567e+02 1.129397567e+02 1.38 1.036962190e+02 1.036962190e+02 1.40 9.502992061e+01 9.502992061e+01 1.42 8.692883265e+01 8.692883265e+01 1.44 7.937643681e+01 7.937643681e+01 1.46 7.235277373e+01 7.235277373e+01 1.48 6.583534835e+01 6.583534835e+01 1.50 5.979990225e+01 5.979990225e+01 1.52 5.422106610e+01 5.422106610e+01 1.54 4.907290399e+01 4.907290399e+01 1.56 4.432936132e+01 4.432936132e+01 1.58 3.996462833e+01 3.996462833e+01 1.60 3.595342945e+01 3.595342945e+01 1.62 3.227124889e+01 3.227124889e+01 1.64 2.889450144e+01 2.889450144e+01 1.66 2.580065643e+01 2.580065643e+01 1.68 2.296832272e+01 2.296832272e+01 1.70 2.037730089e+01 2.037730089e+01 1.72 1.800860833e+01 1.800860833e+01 1.74 1.584448283e+01 1.584448283e+01 1.76 1.386836804e+01 1.386836804e+01 1.78 1.206488126e+01 1.206488126e+01 1.80 1.041976642e+01 1.041976642e+01 1.82 8.919845403e+00 8.919845403e+00 1.84 7.552964241e+00 7.552964241e+00 1.86 6.307936230e+00 6.307936230e+00 1.88 5.174484025e+00 5.174484025e+00 1.90 4.143178518e+00 4.143178518e+00 1.92 3.205371475e+00 3.205371475e+00 1.94 2.353133035e+00 2.353133035e+00 1.96 1.579195001e+00 1.579195001e+00 1.98 8.768982810e-01 8.768982810e-01 2.00 2.401443300e-01 2.401443300e-01 2.02 -3.366513991e-01 -3.366513991e-01 2.04 -8.586065279e-01 -8.586065279e-01 2.06 -1.330411784e+00 -1.330411784e+00 2.08 -1.756363160e+00 -1.756363160e+00 2.10 -2.140374931e+00 -2.140374931e+00 2.12 -2.486025889e+00 -2.486025889e+00 2.14 -2.796598553e+00 -2.796598553e+00 2.16 -3.075103235e+00 -3.075103235e+00 2.18 -3.324300021e+00 -3.324300021e+00 2.20 -3.546719061e+00 -3.546719061e+00 2.22 -3.744679212e+00 -3.744679212e+00 2.24 -3.920305178e+00 -3.920305178e+00 2.26 -4.075543314e+00 -4.075543314e+00 2.28 -4.212176141e+00 -4.212176141e+00 2.30 -4.331835700e+00 -4.331835700e+00 2.32 -4.436019895e+00 -4.436019895e+00 2.34 -4.526122482e+00 -4.526122482e+00 2.36 -4.603424596e+00 -4.603424596e+00 2.38 -4.669094909e+00 -4.669094909e+00 2.40 -4.724199050e+00 -4.724199050e+00 2.42 -4.769707450e+00 -4.769707450e+00 2.44 -4.806441989e+00 -4.806441989e+00 2.46 -4.835055513e+00 -4.835055513e+00 2.48 -4.856146617e+00 -4.856146617e+00 2.50 -4.870273688e+00 -4.870273688e+00 2.52 -4.877957561e+00 -4.877957561e+00 2.54 -4.879685446e+00 -4.879685446e+00 2.56 -4.875935981e+00 -4.875935981e+00 2.58 -4.867172632e+00 -4.867172632e+00 2.60 -4.853823350e+00 -4.853823350e+00 2.62 -4.836282575e+00 -4.836282575e+00 2.64 -4.814913780e+00 -4.814913780e+00 2.66 -4.790051823e+00 -4.790051823e+00 2.68 -4.762005123e+00 -4.762005123e+00 2.70 -4.731057680e+00 -4.731057680e+00 2.72 -4.697470940e+00 -4.697470940e+00 2.74 -4.661485525e+00 -4.661485525e+00 2.76 -4.623322823e+00 -4.623322823e+00 2.78 -4.583186460e+00 -4.583186460e+00 2.80 -4.541263643e+00 -4.541263643e+00 2.82 -4.497726397e+00 -4.497726397e+00 2.84 -4.452732693e+00 -4.452732693e+00 2.86 -4.406427475e+00 -4.406427475e+00 2.88 -4.358943617e+00 -4.358943617e+00 2.90 -4.310402781e+00 -4.310402781e+00 2.92 -4.260916234e+00 -4.260916234e+00 2.94 -4.210585581e+00 -4.210585581e+00 2.96 -4.159503468e+00 -4.159503468e+00 2.98 -4.107754221e+00 -4.107754221e+00 3.00 -4.055414448e+00 -4.055414448e+00 3.02 -4.002553591e+00 -4.002553591e+00 3.04 -3.949234443e+00 -3.949234443e+00 3.06 -3.895513622e+00 -3.895513622e+00 3.08 -3.841442002e+00 -3.841442002e+00 3.10 -3.787065119e+00 -3.787065119e+00 3.12 -3.732423532e+00 -3.732423532e+00 3.14 -3.677553168e+00 -3.677553168e+00 3.16 -3.622485627e+00 -3.622485627e+00 3.18 -3.567248473e+00 -3.567248473e+00 3.20 -3.511865502e+00 -3.511865502e+00 3.22 -3.456356982e+00 -3.456356982e+00 3.24 -3.400739889e+00 -3.400739889e+00 3.26 -3.345028120e+00 -3.345028120e+00 3.28 -3.289232695e+00 -3.289232695e+00 3.30 -3.233361957e+00 -3.233361957e+00 3.32 -3.177421757e+00 -3.177421757e+00 3.34 -3.121415655e+00 -3.121415655e+00 3.36 -3.065345113e+00 -3.065345113e+00 3.38 -3.009209709e+00 -3.009209709e+00 3.40 -2.953007367e+00 -2.953007367e+00 3.42 -2.896734612e+00 -2.896734612e+00 3.44 -2.840386850e+00 -2.840386850e+00 3.46 -2.783958688e+00 -2.783958688e+00 3.48 -2.727444285e+00 -2.727444285e+00 3.50 -2.670837747e+00 -2.670837747e+00 3.52 -2.614133555e+00 -2.614133555e+00 3.54 -2.557327038e+00 -2.557327038e+00 3.56 -2.500414880e+00 -2.500414880e+00 3.58 -2.443395656e+00 -2.443395656e+00 3.60 -2.386270404e+00 -2.386270404e+00 3.62 -2.329043207e+00 -2.329043207e+00 3.64 -2.271721783e+00 -2.271721783e+00 3.66 -2.214318071e+00 -2.214318071e+00 3.68 -2.156848782e+00 -2.156848782e+00 3.70 -2.099335909e+00 -2.099335909e+00 3.72 -2.041807161e+00 -2.041807161e+00 3.74 -1.984296304e+00 -1.984296304e+00 3.76 -1.926843389e+00 -1.926843389e+00 3.78 -1.869494847e+00 -1.869494847e+00 3.80 -1.812303454e+00 -1.812303454e+00 3.82 -1.755328152e+00 -1.755328152e+00 3.84 -1.698633762e+00 -1.698633762e+00 3.86 -1.642290589e+00 -1.642290589e+00 3.88 -1.586373966e+00 -1.586373966e+00 3.90 -1.530963757e+00 -1.530963757e+00 3.92 -1.476143844e+00 -1.476143844e+00 3.94 -1.422001622e+00 -1.422001622e+00 3.96 -1.368627493e+00 -1.368627493e+00 3.98 -1.316114344e+00 -1.316114344e+00 4.00 -1.264556972e+00 -1.264556972e+00 4.02 -1.214051428e+00 -1.214051428e+00 4.04 -1.164694202e+00 -1.164694202e+00 4.06 -1.116581245e+00 -1.116581245e+00 4.08 -1.069806767e+00 -1.069806767e+00 4.10 -1.024461825e+00 -1.024461825e+00 4.12 -9.806327146e-01 -9.806327146e-01 4.14 -9.383992070e-01 -9.383992070e-01 4.16 -8.978327157e-01 -8.978327157e-01 4.18 -8.589944693e-01 -8.589944693e-01 4.20 -8.219338001e-01 -8.219338001e-01 4.22 -7.866866501e-01 -7.866866501e-01 4.24 -7.532743864e-01 -7.532743864e-01 4.26 -7.208869013e-01 -7.208869013e-01 4.28 -6.740083076e-01 -6.740083076e-01 4.30 -5.822099235e-01 -5.822099235e-01 4.32 -4.755853612e-01 -4.755853612e-01 4.34 -4.398206507e-01 -4.398206507e-01 4.36 -4.241415966e-01 -4.241415966e-01 4.38 -4.088851656e-01 -4.088851656e-01 4.40 -3.940288741e-01 -3.940288741e-01 4.42 -3.795536037e-01 -3.795536037e-01 4.44 -3.654430791e-01 -3.654430791e-01 4.46 -3.516833962e-01 -3.516833962e-01 4.48 -3.382626030e-01 -3.382626030e-01 4.50 -3.251703333e-01 -3.251703333e-01 4.52 -3.123974920e-01 -3.123974920e-01 4.54 -2.999359906e-01 -2.999359906e-01 4.56 -2.877785277e-01 -2.877785277e-01 4.58 -2.759184111e-01 -2.759184111e-01 4.60 -2.643494169e-01 -2.643494169e-01 4.62 -2.530656786e-01 -2.530656786e-01 4.64 -2.420616027e-01 -2.420616027e-01 4.66 -2.313318061e-01 -2.313318061e-01 4.68 -2.208710686e-01 -2.208710686e-01 4.70 -2.106743001e-01 -2.106743001e-01 4.72 -2.007365165e-01 -2.007365165e-01 4.74 -1.910528237e-01 -1.910528237e-01 4.76 -1.816184063e-01 -1.816184063e-01 4.78 -1.724285203e-01 -1.724285203e-01 4.80 -1.634784884e-01 -1.634784884e-01 4.82 -1.547636969e-01 -1.547636969e-01 4.84 -1.462795937e-01 -1.462795937e-01 4.86 -1.380216873e-01 -1.380216873e-01 4.88 -1.299855458e-01 -1.299855458e-01 4.90 -1.221667967e-01 -1.221667967e-01 4.92 -1.145349244e-01 -1.145349244e-01 4.94 -1.068769970e-01 -1.068769970e-01 4.96 -9.715515983e-02 -9.715515983e-02 4.98 -6.898483148e-02 -6.898483148e-02 5.00 -3.554356641e-22 -3.554778917e-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