# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = Co2CrW # 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 6.313606196e+02 6.313606196e+02 1.00 5.744269838e+02 5.744269838e+02 1.02 5.222952807e+02 5.222952807e+02 1.04 4.726873445e+02 4.726873445e+02 1.06 4.250829154e+02 4.250829154e+02 1.08 3.801196680e+02 3.801196680e+02 1.10 3.381784406e+02 3.381784406e+02 1.12 2.994525088e+02 2.994525088e+02 1.14 2.639975961e+02 2.639975961e+02 1.16 2.317706363e+02 2.317706363e+02 1.18 2.026596039e+02 2.026596039e+02 1.20 1.765063436e+02 1.765063436e+02 1.22 1.531238920e+02 1.531238920e+02 1.24 1.323094666e+02 1.323094666e+02 1.26 1.138540845e+02 1.138540845e+02 1.28 9.754954944e+01 9.754954944e+01 1.30 8.319340285e+01 8.319340285e+01 1.32 7.059230930e+01 7.059230930e+01 1.34 5.956424397e+01 5.956424397e+01 1.36 4.993977782e+01 4.993977782e+01 1.38 4.156268386e+01 4.156268386e+01 1.40 3.429004658e+01 3.429004658e+01 1.42 2.799201159e+01 2.799201159e+01 1.44 2.255127859e+01 2.255127859e+01 1.46 1.786242356e+01 1.786242356e+01 1.48 1.383110795e+01 1.383110795e+01 1.50 1.037322443e+01 1.037322443e+01 1.52 7.414021535e+00 7.414021535e+00 1.54 4.887234423e+00 4.887234423e+00 1.56 2.734254201e+00 2.734254201e+00 1.58 9.033617250e-01 9.033617250e-01 1.60 -6.509560255e-01 -6.509560255e-01 1.62 -1.968604923e+00 -1.968604923e+00 1.64 -3.084471047e+00 -3.084471047e+00 1.66 -4.028868347e+00 -4.028868347e+00 1.68 -4.827822446e+00 -4.827822446e+00 1.70 -5.503306399e+00 -5.503306399e+00 1.72 -6.073468484e+00 -6.073468484e+00 1.74 -6.552887476e+00 -6.552887476e+00 1.76 -6.952885439e+00 -6.952885439e+00 1.78 -7.281947720e+00 -7.281947720e+00 1.80 -7.546247089e+00 -7.546247089e+00 1.82 -7.750175211e+00 -7.750175211e+00 1.84 -7.896904914e+00 -7.896904914e+00 1.86 -7.988960725e+00 -7.988960725e+00 1.88 -8.028751771e+00 -8.028751771e+00 1.90 -8.019020755e+00 -8.019020755e+00 1.92 -7.963171232e+00 -7.963171232e+00 1.94 -7.865449002e+00 -7.865449002e+00 1.96 -7.730971908e+00 -7.730971908e+00 1.98 -7.565621124e+00 -7.565621124e+00 2.00 -7.375821711e+00 -7.375821711e+00 2.02 -7.168304720e+00 -7.168304720e+00 2.04 -6.949940591e+00 -6.949940591e+00 2.06 -6.727236067e+00 -6.727236067e+00 2.08 -6.506018969e+00 -6.506018969e+00 2.10 -6.291260808e+00 -6.291260808e+00 2.12 -6.087003615e+00 -6.087003615e+00 2.14 -5.896352540e+00 -5.896352540e+00 2.16 -5.721491762e+00 -5.721491762e+00 2.18 -5.563746544e+00 -5.563746544e+00 2.20 -5.423679251e+00 -5.423679251e+00 2.22 -5.301208104e+00 -5.301208104e+00 2.24 -5.195733181e+00 -5.195733181e+00 2.26 -5.106259100e+00 -5.106259100e+00 2.28 -5.031508431e+00 -5.031508431e+00 2.30 -4.970021601e+00 -4.970021601e+00 2.32 -4.920241287e+00 -4.920241287e+00 2.34 -4.880580934e+00 -4.880580934e+00 2.36 -4.849478180e+00 -4.849478180e+00 2.38 -4.825434701e+00 -4.825434701e+00 2.40 -4.807044292e+00 -4.807044292e+00 2.42 -4.793011162e+00 -4.793011162e+00 2.44 -4.782160322e+00 -4.782160322e+00 2.46 -4.773441770e+00 -4.773441770e+00 2.48 -4.765930014e+00 -4.765930014e+00 2.50 -4.758820169e+00 -4.758820169e+00 2.52 -4.751421689e+00 -4.751421689e+00 2.54 -4.743150566e+00 -4.743150566e+00 2.56 -4.733520646e+00 -4.733520646e+00 2.58 -4.722134553e+00 -4.722134553e+00 2.60 -4.708674589e+00 -4.708674589e+00 2.62 -4.692893984e+00 -4.692893984e+00 2.64 -4.674613471e+00 -4.674613471e+00 2.66 -4.653714334e+00 -4.653714334e+00 2.68 -4.630123441e+00 -4.630123441e+00 2.70 -4.603806183e+00 -4.603806183e+00 2.72 -4.574760632e+00 -4.574760632e+00 2.74 -4.543012296e+00 -4.543012296e+00 2.76 -4.508609430e+00 -4.508609430e+00 2.78 -4.471618895e+00 -4.471618895e+00 2.80 -4.432122499e+00 -4.432122499e+00 2.82 -4.390213800e+00 -4.390213800e+00 2.84 -4.345995320e+00 -4.345995320e+00 2.86 -4.299576135e+00 -4.299576135e+00 2.88 -4.251069792e+00 -4.251069792e+00 2.90 -4.200592544e+00 -4.200592544e+00 2.92 -4.148261834e+00 -4.148261834e+00 2.94 -4.094195032e+00 -4.094195032e+00 2.96 -4.038508371e+00 -4.038508371e+00 2.98 -3.981316080e+00 -3.981316080e+00 3.00 -3.922729677e+00 -3.922729677e+00 3.02 -3.862857388e+00 -3.862857388e+00 3.04 -3.801803467e+00 -3.801803467e+00 3.06 -3.739668396e+00 -3.739668396e+00 3.08 -3.676549729e+00 -3.676549729e+00 3.10 -3.612538745e+00 -3.612538745e+00 3.12 -3.547723186e+00 -3.547723186e+00 3.14 -3.482186594e+00 -3.482186594e+00 3.16 -3.416008462e+00 -3.416008462e+00 3.18 -3.349264497e+00 -3.349264497e+00 3.20 -3.282026960e+00 -3.282026960e+00 3.22 -3.214365106e+00 -3.214365106e+00 3.24 -3.146345704e+00 -3.146345704e+00 3.26 -3.078033659e+00 -3.078033659e+00 3.28 -3.009492731e+00 -3.009492731e+00 3.30 -2.940786343e+00 -2.940786343e+00 3.32 -2.871978486e+00 -2.871978486e+00 3.34 -2.803134710e+00 -2.803134710e+00 3.36 -2.734323181e+00 -2.734323181e+00 3.38 -2.665615792e+00 -2.665615792e+00 3.40 -2.597089279e+00 -2.597089279e+00 3.42 -2.528826309e+00 -2.528826309e+00 3.44 -2.460916476e+00 -2.460916476e+00 3.46 -2.393457119e+00 -2.393457119e+00 3.48 -2.326553890e+00 -2.326553890e+00 3.50 -2.260320965e+00 -2.260320965e+00 3.52 -2.194880784e+00 -2.194880784e+00 3.54 -2.130363251e+00 -2.130363251e+00 3.56 -2.066904277e+00 -2.066904277e+00 3.58 -2.004643651e+00 -2.004643651e+00 3.60 -1.943722209e+00 -1.943722209e+00 3.62 -1.884278375e+00 -1.884278375e+00 3.64 -1.826444191e+00 -1.826444191e+00 3.66 -1.770341033e+00 -1.770341033e+00 3.68 -1.716075276e+00 -1.716075276e+00 3.70 -1.663734198e+00 -1.663734198e+00 3.72 -1.613382462e+00 -1.613382462e+00 3.74 -1.565059447e+00 -1.565059447e+00 3.76 -1.518777697e+00 -1.518777697e+00 3.78 -1.474522627e+00 -1.474522627e+00 3.80 -1.432253541e+00 -1.432253541e+00 3.82 -1.391905896e+00 -1.391905896e+00 3.84 -1.353394627e+00 -1.353394627e+00 3.86 -1.316618280e+00 -1.316618280e+00 3.88 -1.281463636e+00 -1.281463636e+00 3.90 -1.247810487e+00 -1.247810487e+00 3.92 -1.215536253e+00 -1.215536253e+00 3.94 -1.184520166e+00 -1.184520166e+00 3.96 -1.154646810e+00 -1.154646810e+00 3.98 -1.125808892e+00 -1.125808892e+00 4.00 -1.097909181e+00 -1.097909181e+00 4.02 -1.070861641e+00 -1.070861641e+00 4.04 -1.044591813e+00 -1.044591813e+00 4.06 -1.019036573e+00 -1.019036573e+00 4.08 -9.941433909e-01 -9.941433909e-01 4.10 -9.698692556e-01 -9.698692556e-01 4.12 -9.461793881e-01 -9.461793881e-01 4.14 -9.230458865e-01 -9.230458865e-01 4.16 -9.004463990e-01 -9.004463990e-01 4.18 -8.783629035e-01 -8.783629035e-01 4.20 -8.567806436e-01 -8.567806436e-01 4.22 -8.356872431e-01 -8.356872431e-01 4.24 -8.150720023e-01 -8.150720023e-01 4.26 -7.950581343e-01 -7.950581343e-01 4.28 -7.783213650e-01 -7.783213650e-01 4.30 -7.720511387e-01 -7.720511387e-01 4.32 -7.776379751e-01 -7.776379751e-01 4.34 -7.655823814e-01 -7.655823814e-01 4.36 -7.466023829e-01 -7.466023829e-01 4.38 -7.280282358e-01 -7.280282358e-01 4.40 -7.098540037e-01 -7.098540037e-01 4.42 -6.920737127e-01 -6.920737127e-01 4.44 -6.746813585e-01 -6.746813585e-01 4.46 -6.576709139e-01 -6.576709139e-01 4.48 -6.410363348e-01 -6.410363348e-01 4.50 -6.247715669e-01 -6.247715669e-01 4.52 -6.088705519e-01 -6.088705519e-01 4.54 -5.933272332e-01 -5.933272332e-01 4.56 -5.781355611e-01 -5.781355611e-01 4.58 -5.632894984e-01 -5.632894984e-01 4.60 -5.487830251e-01 -5.487830251e-01 4.62 -5.346101433e-01 -5.346101433e-01 4.64 -5.207648814e-01 -5.207648814e-01 4.66 -5.072412984e-01 -5.072412984e-01 4.68 -4.940334877e-01 -4.940334877e-01 4.70 -4.811355810e-01 -4.811355810e-01 4.72 -4.685417515e-01 -4.685417515e-01 4.74 -4.562462175e-01 -4.562462175e-01 4.76 -4.442432449e-01 -4.442432449e-01 4.78 -4.325271504e-01 -4.325271504e-01 4.80 -4.210923043e-01 -4.210923043e-01 4.82 -4.099331322e-01 -4.099331322e-01 4.84 -3.990441180e-01 -3.990441180e-01 4.86 -3.884198055e-01 -3.884198055e-01 4.88 -3.780548005e-01 -3.780548005e-01 4.90 -3.679437723e-01 -3.679437723e-01 4.92 -3.570115511e-01 -3.570115511e-01 4.94 -3.319757873e-01 -3.319757873e-01 4.96 -2.615655438e-01 -2.615655438e-01 4.98 -1.229553186e-01 -1.229553186e-01 5.00 -9.950966007e-24 -9.927471760e-24 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 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