# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Fe # implementation = 2025--Sharifi-H--Cr-Ni-Fe--LAMMPS--ipr1 # composition = CrFeNi2 # 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 4.242048614e+02 4.242048614e+02 1.00 3.945847106e+02 3.945847106e+02 1.02 3.675989542e+02 3.675989542e+02 1.04 3.427468331e+02 3.427468331e+02 1.06 3.196625058e+02 3.196625058e+02 1.08 2.980811167e+02 2.980811167e+02 1.10 2.778123662e+02 2.778123662e+02 1.12 2.587201340e+02 2.587201340e+02 1.14 2.407069117e+02 2.407069117e+02 1.16 2.237017994e+02 2.237017994e+02 1.18 2.077962117e+02 2.077962117e+02 1.20 1.930329745e+02 1.930329745e+02 1.22 1.792506070e+02 1.792506070e+02 1.24 1.663300833e+02 1.663300833e+02 1.26 1.541844757e+02 1.541844757e+02 1.28 1.427500562e+02 1.427500562e+02 1.30 1.319794867e+02 1.319794867e+02 1.32 1.218366665e+02 1.218366665e+02 1.34 1.122929032e+02 1.122929032e+02 1.36 1.033241199e+02 1.033241199e+02 1.38 9.490886983e+01 9.490886983e+01 1.40 8.702697213e+01 8.702697213e+01 1.42 7.965862008e+01 7.965862008e+01 1.44 7.278384178e+01 7.278384178e+01 1.46 6.638221910e+01 6.638221910e+01 1.48 6.043279047e+01 6.043279047e+01 1.50 5.491408011e+01 5.491408011e+01 1.52 4.980420905e+01 4.980420905e+01 1.54 4.508105514e+01 4.508105514e+01 1.56 4.072243534e+01 4.072243534e+01 1.58 3.670629413e+01 3.670629413e+01 1.60 3.301088547e+01 3.301088547e+01 1.62 2.961493952e+01 2.961493952e+01 1.64 2.649780924e+01 2.649780924e+01 1.66 2.363958357e+01 2.363958357e+01 1.68 2.102113063e+01 2.102113063e+01 1.70 1.862422884e+01 1.862422884e+01 1.72 1.643165239e+01 1.643165239e+01 1.74 1.442720296e+01 1.442720296e+01 1.76 1.259572034e+01 1.259572034e+01 1.78 1.092307237e+01 1.092307237e+01 1.80 9.396138402e+00 9.396138402e+00 1.82 8.002789990e+00 8.002789990e+00 1.84 6.731860178e+00 6.731860178e+00 1.86 5.573104625e+00 5.573104625e+00 1.88 4.517157343e+00 4.517157343e+00 1.90 3.555482999e+00 3.555482999e+00 1.92 2.680326826e+00 2.680326826e+00 1.94 1.884658267e+00 1.884658267e+00 1.96 1.162075406e+00 1.162075406e+00 1.98 5.067229115e-01 5.067229115e-01 2.00 -8.676182312e-02 -8.676182312e-02 2.02 -6.233178738e-01 -6.233178738e-01 2.04 -1.107502273e+00 -1.107502273e+00 2.06 -1.543519700e+00 -1.543519700e+00 2.08 -1.935249766e+00 -1.935249766e+00 2.10 -2.286272192e+00 -2.286272192e+00 2.12 -2.599889959e+00 -2.599889959e+00 2.14 -2.879150667e+00 -2.879150667e+00 2.16 -3.126866241e+00 -3.126866241e+00 2.18 -3.345630384e+00 -3.345630384e+00 2.20 -3.537834657e+00 -3.537834657e+00 2.22 -3.705685515e+00 -3.705685515e+00 2.24 -3.851218722e+00 -3.851218722e+00 2.26 -3.976312447e+00 -3.976312447e+00 2.28 -4.082699321e+00 -4.082699321e+00 2.30 -4.171977578e+00 -4.171977578e+00 2.32 -4.245621354e+00 -4.245621354e+00 2.34 -4.304990165e+00 -4.304990165e+00 2.36 -4.351337687e+00 -4.351337687e+00 2.38 -4.385825648e+00 -4.385825648e+00 2.40 -4.409718596e+00 -4.409718596e+00 2.42 -4.424383881e+00 -4.424383881e+00 2.44 -4.431040459e+00 -4.431040459e+00 2.46 -4.430755950e+00 -4.430755950e+00 2.48 -4.424463023e+00 -4.424463023e+00 2.50 -4.412975100e+00 -4.412975100e+00 2.52 -4.397000404e+00 -4.397000404e+00 2.54 -4.377154497e+00 -4.377154497e+00 2.56 -4.353971455e+00 -4.353971455e+00 2.58 -4.327913830e+00 -4.327913830e+00 2.60 -4.299381516e+00 -4.299381516e+00 2.62 -4.268719618e+00 -4.268719618e+00 2.64 -4.236225457e+00 -4.236225457e+00 2.66 -4.202154765e+00 -4.202154765e+00 2.68 -4.166727175e+00 -4.166727175e+00 2.70 -4.130131076e+00 -4.130131076e+00 2.72 -4.092527896e+00 -4.092527896e+00 2.74 -4.054055870e+00 -4.054055870e+00 2.76 -4.014833361e+00 -4.014833361e+00 2.78 -3.974961770e+00 -3.974961770e+00 2.80 -3.934528075e+00 -3.934528075e+00 2.82 -3.893607064e+00 -3.893607064e+00 2.84 -3.852263262e+00 -3.852263262e+00 2.86 -3.810552612e+00 -3.810552612e+00 2.88 -3.768523930e+00 -3.768523930e+00 2.90 -3.726220149e+00 -3.726220149e+00 2.92 -3.683679395e+00 -3.683679395e+00 2.94 -3.640935903e+00 -3.640935903e+00 2.96 -3.598020787e+00 -3.598020787e+00 2.98 -3.554962697e+00 -3.554962697e+00 3.00 -3.511788361e+00 -3.511788361e+00 3.02 -3.468523039e+00 -3.468523039e+00 3.04 -3.425190889e+00 -3.425190889e+00 3.06 -3.381815264e+00 -3.381815264e+00 3.08 -3.338418943e+00 -3.338418943e+00 3.10 -3.295024314e+00 -3.295024314e+00 3.12 -3.251653499e+00 -3.251653499e+00 3.14 -3.208328451e+00 -3.208328451e+00 3.16 -3.165071005e+00 -3.165071005e+00 3.18 -3.121902906e+00 -3.121902906e+00 3.20 -3.078845805e+00 -3.078845805e+00 3.22 -3.035921244e+00 -3.035921244e+00 3.24 -2.993150606e+00 -2.993150606e+00 3.26 -2.950555068e+00 -2.950555068e+00 3.28 -2.908155526e+00 -2.908155526e+00 3.30 -2.865972520e+00 -2.865972520e+00 3.32 -2.824026144e+00 -2.824026144e+00 3.34 -2.782335952e+00 -2.782335952e+00 3.36 -2.740920864e+00 -2.740920864e+00 3.38 -2.699799054e+00 -2.699799054e+00 3.40 -2.658987859e+00 -2.658987859e+00 3.42 -2.618503664e+00 -2.618503664e+00 3.44 -2.578361804e+00 -2.578361804e+00 3.46 -2.538576465e+00 -2.538576465e+00 3.48 -2.499160588e+00 -2.499160588e+00 3.50 -2.460125776e+00 -2.460125776e+00 3.52 -2.421482216e+00 -2.421482216e+00 3.54 -2.383238607e+00 -2.383238607e+00 3.56 -2.345402096e+00 -2.345402096e+00 3.58 -2.307978235e+00 -2.307978235e+00 3.60 -2.270970945e+00 -2.270970945e+00 3.62 -2.234382508e+00 -2.234382508e+00 3.64 -2.198213566e+00 -2.198213566e+00 3.66 -2.162463152e+00 -2.162463152e+00 3.68 -2.127128737e+00 -2.127128737e+00 3.70 -2.092206300e+00 -2.092206300e+00 3.72 -2.057690428e+00 -2.057690428e+00 3.74 -2.023574432e+00 -2.023574432e+00 3.76 -1.989850494e+00 -1.989850494e+00 3.78 -1.956509827e+00 -1.956509827e+00 3.80 -1.923542866e+00 -1.923542866e+00 3.82 -1.890939467e+00 -1.890939467e+00 3.84 -1.858689128e+00 -1.858689128e+00 3.86 -1.826781218e+00 -1.826781218e+00 3.88 -1.795205210e+00 -1.795205210e+00 3.90 -1.763950924e+00 -1.763950924e+00 3.92 -1.733008763e+00 -1.733008763e+00 3.94 -1.702369937e+00 -1.702369937e+00 3.96 -1.672026680e+00 -1.672026680e+00 3.98 -1.641972447e+00 -1.641972447e+00 4.00 -1.612202074e+00 -1.612202074e+00 4.02 -1.582711924e+00 -1.582711924e+00 4.04 -1.553499975e+00 -1.553499975e+00 4.06 -1.524565881e+00 -1.524565881e+00 4.08 -1.495910979e+00 -1.495910979e+00 4.10 -1.467538249e+00 -1.467538249e+00 4.12 -1.439452224e+00 -1.439452224e+00 4.14 -1.411658861e+00 -1.411658861e+00 4.16 -1.384165358e+00 -1.384165358e+00 4.18 -1.356979949e+00 -1.356979949e+00 4.20 -1.330111668e+00 -1.330111668e+00 4.22 -1.303570087e+00 -1.303570087e+00 4.24 -1.277365066e+00 -1.277365066e+00 4.26 -1.251160993e+00 -1.251160993e+00 4.28 -1.218003701e+00 -1.218003701e+00 4.30 -1.158630794e+00 -1.158630794e+00 4.32 -1.064904746e+00 -1.064904746e+00 4.34 -1.021121473e+00 -1.021121473e+00 4.36 -1.000335093e+00 -1.000335093e+00 4.38 -9.798792089e-01 -9.798792089e-01 4.40 -9.597590976e-01 -9.597590976e-01 4.42 -9.399789778e-01 -9.399789778e-01 4.44 -9.205420288e-01 -9.205420288e-01 4.46 -9.014504309e-01 -9.014504309e-01 4.48 -8.827054237e-01 -8.827054237e-01 4.50 -8.643073768e-01 -8.643073768e-01 4.52 -8.462558684e-01 -8.462558684e-01 4.54 -8.285497679e-01 -8.285497679e-01 4.56 -8.111873195e-01 -8.111873195e-01 4.58 -7.941662229e-01 -7.941662229e-01 4.60 -7.774837093e-01 -7.774837093e-01 4.62 -7.611366119e-01 -7.611366119e-01 4.64 -7.451214291e-01 -7.451214291e-01 4.66 -7.294343801e-01 -7.294343801e-01 4.68 -7.140714535e-01 -7.140714535e-01 4.70 -6.990284492e-01 -6.990284492e-01 4.72 -6.843010127e-01 -6.843010127e-01 4.74 -6.698846651e-01 -6.698846651e-01 4.76 -6.557748277e-01 -6.557748277e-01 4.78 -6.419668417e-01 -6.419668417e-01 4.80 -6.284559858e-01 -6.284559858e-01 4.82 -6.152374900e-01 -6.152374900e-01 4.84 -6.023065477e-01 -6.023065477e-01 4.86 -5.896583259e-01 -5.896583259e-01 4.88 -5.772879741e-01 -5.772879741e-01 4.90 -5.651906319e-01 -5.651906319e-01 4.92 -5.523157298e-01 -5.523157298e-01 4.94 -5.253898024e-01 -5.253898024e-01 4.96 -4.480141055e-01 -4.480141055e-01 4.98 -2.602963338e-01 -2.602963338e-01 5.00 -1.884472955e-22 -1.882565855e-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