# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Al-Mn # implementation = 2025--Sharifi-H--Cr-Al-Mn--LAMMPS--ipr1 # composition = AlCrMn2 # 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 8.967609240e+02 8.967609240e+02 1.00 8.216619343e+02 8.216619343e+02 1.02 7.524478501e+02 7.524478501e+02 1.04 6.900929121e+02 6.900929121e+02 1.06 6.342345391e+02 6.342345391e+02 1.08 5.838677124e+02 5.838677124e+02 1.10 5.381699239e+02 5.381699239e+02 1.12 4.964727433e+02 4.964727433e+02 1.14 4.582361511e+02 4.582361511e+02 1.16 4.230252898e+02 4.230252898e+02 1.18 3.904901306e+02 3.904901306e+02 1.20 3.603481264e+02 3.603481264e+02 1.22 3.323697264e+02 3.323697264e+02 1.24 3.063665159e+02 3.063665159e+02 1.26 2.821816603e+02 2.821816603e+02 1.28 2.596823368e+02 2.596823368e+02 1.30 2.387538382e+02 2.387538382e+02 1.32 2.192943623e+02 2.192943623e+02 1.34 2.016999230e+02 2.016999230e+02 1.36 1.862824181e+02 1.862824181e+02 1.38 1.722139908e+02 1.722139908e+02 1.40 1.590283377e+02 1.590283377e+02 1.42 1.465037726e+02 1.465037726e+02 1.44 1.345581577e+02 1.345581577e+02 1.46 1.231819297e+02 1.231819297e+02 1.48 1.123969772e+02 1.123969772e+02 1.50 1.022327157e+02 1.022327157e+02 1.52 9.271331444e+01 9.271331444e+01 1.54 8.385192563e+01 8.385192563e+01 1.56 7.564910319e+01 7.564910319e+01 1.58 6.809357687e+01 6.809357687e+01 1.60 6.116418026e+01 6.116418026e+01 1.62 5.483218468e+01 5.483218468e+01 1.64 4.906361735e+01 4.906361735e+01 1.66 4.382133535e+01 4.382133535e+01 1.68 3.906675446e+01 3.906675446e+01 1.70 3.476121034e+01 3.476121034e+01 1.72 3.086697354e+01 3.086697354e+01 1.74 2.734796207e+01 2.734796207e+01 1.76 2.417020517e+01 2.417020517e+01 1.78 2.130213000e+01 2.130213000e+01 1.80 1.871465948e+01 1.871465948e+01 1.82 1.638118509e+01 1.638118509e+01 1.84 1.427748977e+01 1.427748977e+01 1.86 1.238159827e+01 1.238159827e+01 1.88 1.067360503e+01 1.067360503e+01 1.90 9.135498927e+00 9.135498927e+00 1.92 7.750953061e+00 7.750953061e+00 1.94 6.505166717e+00 6.505166717e+00 1.96 5.384733038e+00 5.384733038e+00 1.98 4.377516622e+00 4.377516622e+00 2.00 3.472540498e+00 3.472540498e+00 2.02 2.659881995e+00 2.659881995e+00 2.04 1.930578254e+00 1.930578254e+00 2.06 1.276547428e+00 1.276547428e+00 2.08 6.904978134e-01 6.904978134e-01 2.10 1.658447852e-01 1.658447852e-01 2.12 -3.033581995e-01 -3.033581995e-01 2.14 -7.224817787e-01 -7.224817787e-01 2.16 -1.096381699e+00 -1.096381699e+00 2.18 -1.429460382e+00 -1.429460382e+00 2.20 -1.725693696e+00 -1.725693696e+00 2.22 -1.988668333e+00 -1.988668333e+00 2.24 -2.221620329e+00 -2.221620329e+00 2.26 -2.427469734e+00 -2.427469734e+00 2.28 -2.608852077e+00 -2.608852077e+00 2.30 -2.768098960e+00 -2.768098960e+00 2.32 -2.907217884e+00 -2.907217884e+00 2.34 -3.028024094e+00 -3.028024094e+00 2.36 -3.132172812e+00 -3.132172812e+00 2.38 -3.221173898e+00 -3.221173898e+00 2.40 -3.296405116e+00 -3.296405116e+00 2.42 -3.359124107e+00 -3.359124107e+00 2.44 -3.410479245e+00 -3.410479245e+00 2.46 -3.451519445e+00 -3.451519445e+00 2.48 -3.483203059e+00 -3.483203059e+00 2.50 -3.506405923e+00 -3.506405923e+00 2.52 -3.521928651e+00 -3.521928651e+00 2.54 -3.530503226e+00 -3.530503226e+00 2.56 -3.532791440e+00 -3.532791440e+00 2.58 -3.529358372e+00 -3.529358372e+00 2.60 -3.520711750e+00 -3.520711750e+00 2.62 -3.507321455e+00 -3.507321455e+00 2.64 -3.489622242e+00 -3.489622242e+00 2.66 -3.468016146e+00 -3.468016146e+00 2.68 -3.442874633e+00 -3.442874633e+00 2.70 -3.414540530e+00 -3.414540530e+00 2.72 -3.383329776e+00 -3.383329776e+00 2.74 -3.349533042e+00 -3.349533042e+00 2.76 -3.313417274e+00 -3.313417274e+00 2.78 -3.275227193e+00 -3.275227193e+00 2.80 -3.235186804e+00 -3.235186804e+00 2.82 -3.193500917e+00 -3.193500917e+00 2.84 -3.150356695e+00 -3.150356695e+00 2.86 -3.105925185e+00 -3.105925185e+00 2.88 -3.060362815e+00 -3.060362815e+00 2.90 -3.013812795e+00 -3.013812795e+00 2.92 -2.966406386e+00 -2.966406386e+00 2.94 -2.918263992e+00 -2.918263992e+00 2.96 -2.869496082e+00 -2.869496082e+00 2.98 -2.820203918e+00 -2.820203918e+00 3.00 -2.770480133e+00 -2.770480133e+00 3.02 -2.720409172e+00 -2.720409172e+00 3.04 -2.670067525e+00 -2.670067525e+00 3.06 -2.619524263e+00 -2.619524263e+00 3.08 -2.568841945e+00 -2.568841945e+00 3.10 -2.518075231e+00 -2.518075231e+00 3.12 -2.467272606e+00 -2.467272606e+00 3.14 -2.416476390e+00 -2.416476390e+00 3.16 -2.365723151e+00 -2.365723151e+00 3.18 -2.315044175e+00 -2.315044175e+00 3.20 -2.264465979e+00 -2.264465979e+00 3.22 -2.214010878e+00 -2.214010878e+00 3.24 -2.163697588e+00 -2.163697588e+00 3.26 -2.113541898e+00 -2.113541898e+00 3.28 -2.063557373e+00 -2.063557373e+00 3.30 -2.013756131e+00 -2.013756131e+00 3.32 -1.964149647e+00 -1.964149647e+00 3.34 -1.914749606e+00 -1.914749606e+00 3.36 -1.865568779e+00 -1.865568779e+00 3.38 -1.816621902e+00 -1.816621902e+00 3.40 -1.767926538e+00 -1.767926538e+00 3.42 -1.719503893e+00 -1.719503893e+00 3.44 -1.671379549e+00 -1.671379549e+00 3.46 -1.623584083e+00 -1.623584083e+00 3.48 -1.576153536e+00 -1.576153536e+00 3.50 -1.529129689e+00 -1.529129689e+00 3.52 -1.482560119e+00 -1.482560119e+00 3.54 -1.436497999e+00 -1.436497999e+00 3.56 -1.391001624e+00 -1.391001624e+00 3.58 -1.346133650e+00 -1.346133650e+00 3.60 -1.301960050e+00 -1.301960050e+00 3.62 -1.258548809e+00 -1.258548809e+00 3.64 -1.215968401e+00 -1.215968401e+00 3.66 -1.174286094e+00 -1.174286094e+00 3.68 -1.133566182e+00 -1.133566182e+00 3.70 -1.093868204e+00 -1.093868204e+00 3.72 -1.055245270e+00 -1.055245270e+00 3.74 -1.017742567e+00 -1.017742567e+00 3.76 -9.813961316e-01 -9.813961316e-01 3.78 -9.462319636e-01 -9.462319636e-01 3.80 -9.122655065e-01 -9.122655065e-01 3.82 -8.795015279e-01 -8.795015279e-01 3.84 -8.479343820e-01 -8.479343820e-01 3.86 -8.175486269e-01 -8.175486269e-01 3.88 -7.883199426e-01 -7.883199426e-01 3.90 -7.602162873e-01 -7.602162873e-01 3.92 -7.331992148e-01 -7.331992148e-01 3.94 -7.072252823e-01 -7.072252823e-01 3.96 -6.822474728e-01 -6.822474728e-01 3.98 -6.582165707e-01 -6.582165707e-01 4.00 -6.350824374e-01 -6.350824374e-01 4.02 -6.127951450e-01 -6.127951450e-01 4.04 -5.913059427e-01 -5.913059427e-01 4.06 -5.705680394e-01 -5.705680394e-01 4.08 -5.505372004e-01 -5.505372004e-01 4.10 -5.311721629e-01 -5.311721629e-01 4.12 -5.124348856e-01 -5.124348856e-01 4.14 -4.942906510e-01 -4.942906510e-01 4.16 -4.767080426e-01 -4.767080426e-01 4.18 -4.596588229e-01 -4.596588229e-01 4.20 -4.431177352e-01 -4.431177352e-01 4.22 -4.270622543e-01 -4.270622543e-01 4.24 -4.114723055e-01 -4.114723055e-01 4.26 -3.960371478e-01 -3.960371478e-01 4.28 -3.748510171e-01 -3.748510171e-01 4.30 -3.305234989e-01 -3.305234989e-01 4.32 -2.458150881e-01 -2.458150881e-01 4.34 -2.042491975e-01 -2.042491975e-01 4.36 -1.950739913e-01 -1.950739913e-01 4.38 -1.861604357e-01 -1.861604357e-01 4.40 -1.775014817e-01 -1.775014817e-01 4.42 -1.690905135e-01 -1.690905135e-01 4.44 -1.609212597e-01 -1.609212597e-01 4.46 -1.529877258e-01 -1.529877258e-01 4.48 -1.452841420e-01 -1.452841420e-01 4.50 -1.378049250e-01 -1.378049250e-01 4.52 -1.305446493e-01 -1.305446493e-01 4.54 -1.234980280e-01 -1.234980280e-01 4.56 -1.166598978e-01 -1.166598978e-01 4.58 -1.100252096e-01 -1.100252096e-01 4.60 -1.035890213e-01 -1.035890213e-01 4.62 -9.734649325e-02 -9.734649325e-02 4.64 -9.129288491e-02 -9.129288491e-02 4.66 -8.542355214e-02 -8.542355214e-02 4.68 -7.973394539e-02 -7.973394539e-02 4.70 -7.421960810e-02 -7.421960810e-02 4.72 -6.887617531e-02 -6.887617531e-02 4.74 -6.369937231e-02 -6.369937231e-02 4.76 -5.868501343e-02 -5.868501343e-02 4.78 -5.382900078e-02 -5.382900078e-02 4.80 -4.912732304e-02 -4.912732304e-02 4.82 -4.457605417e-02 -4.457605417e-02 4.84 -4.017135221e-02 -4.017135221e-02 4.86 -3.590945797e-02 -3.590945797e-02 4.88 -3.178669378e-02 -3.178669378e-02 4.90 -2.779946221e-02 -2.779946221e-02 4.92 -2.386814212e-02 -2.386814212e-02 4.94 -1.920229533e-02 -1.920229533e-02 4.96 -1.261458310e-02 -1.261458310e-02 4.98 -4.621830017e-03 -4.621830017e-03 5.00 -3.439255740e-23 -3.501295864e-23 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 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