# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Fe # implementation = 2025--Sharifi-H--Cr-Co-Fe--LAMMPS--ipr1 # composition = CoCrFe2 # 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 3.492069487e+02 3.492069487e+02 1.00 3.172228432e+02 3.172228432e+02 1.02 2.868358318e+02 2.868358318e+02 1.04 2.584105015e+02 2.584105015e+02 1.06 2.321349342e+02 2.321349342e+02 1.08 2.080712911e+02 2.080712911e+02 1.10 1.861946490e+02 1.861946490e+02 1.12 1.664219647e+02 1.664219647e+02 1.14 1.486334787e+02 1.486334787e+02 1.16 1.326883480e+02 1.326883480e+02 1.18 1.184358694e+02 1.184358694e+02 1.20 1.057233812e+02 1.057233812e+02 1.22 9.440166628e+01 9.440166628e+01 1.24 8.432849125e+01 8.432849125e+01 1.26 7.537077593e+01 7.537077593e+01 1.28 6.740576670e+01 6.740576670e+01 1.30 6.032150177e+01 6.032150177e+01 1.32 5.401678002e+01 5.401678002e+01 1.34 4.840077957e+01 4.840077957e+01 1.36 4.339244595e+01 4.339244595e+01 1.38 3.891979365e+01 3.891979365e+01 1.40 3.491915668e+01 3.491915668e+01 1.42 3.133441911e+01 3.133441911e+01 1.44 2.811625901e+01 2.811625901e+01 1.46 2.522142426e+01 2.522142426e+01 1.48 2.261205241e+01 2.261205241e+01 1.50 2.025504318e+01 2.025504318e+01 1.52 1.812148739e+01 1.812148739e+01 1.54 1.618615135e+01 1.618615135e+01 1.56 1.442701592e+01 1.442701592e+01 1.58 1.282486761e+01 1.282486761e+01 1.60 1.136293717e+01 1.136293717e+01 1.62 1.002658351e+01 1.002658351e+01 1.64 8.803015814e+00 8.803015814e+00 1.66 7.681049753e+00 7.681049753e+00 1.68 6.650897147e+00 6.650897147e+00 1.70 5.703983343e+00 5.703983343e+00 1.72 4.832784333e+00 4.832784333e+00 1.74 4.030650147e+00 4.030650147e+00 1.76 3.291661560e+00 3.291661560e+00 1.78 2.610539994e+00 2.610539994e+00 1.80 1.982571957e+00 1.982571957e+00 1.82 1.403542960e+00 1.403542960e+00 1.84 8.696800930e-01 8.696800930e-01 1.86 3.776014310e-01 3.776014310e-01 1.88 -7.572838336e-02 -7.572838336e-02 1.90 -4.930347679e-01 -4.930347679e-01 1.92 -8.767885335e-01 -8.767885335e-01 1.94 -1.229271195e+00 -1.229271195e+00 1.96 -1.552540597e+00 -1.552540597e+00 1.98 -1.848465293e+00 -1.848465293e+00 2.00 -2.118790551e+00 -2.118790551e+00 2.02 -2.365157870e+00 -2.365157870e+00 2.04 -2.589111187e+00 -2.589111187e+00 2.06 -2.792102641e+00 -2.792102641e+00 2.08 -2.975497981e+00 -2.975497981e+00 2.10 -3.140581653e+00 -3.140581653e+00 2.12 -3.288561575e+00 -3.288561575e+00 2.14 -3.420573338e+00 -3.420573338e+00 2.16 -3.537683458e+00 -3.537683458e+00 2.18 -3.640894550e+00 -3.640894550e+00 2.20 -3.731149474e+00 -3.731149474e+00 2.22 -3.809334788e+00 -3.809334788e+00 2.24 -3.876283995e+00 -3.876283995e+00 2.26 -3.932780605e+00 -3.932780605e+00 2.28 -3.979561024e+00 -3.979561024e+00 2.30 -4.017317260e+00 -4.017317260e+00 2.32 -4.046699495e+00 -4.046699495e+00 2.34 -4.068318485e+00 -4.068318485e+00 2.36 -4.082747841e+00 -4.082747841e+00 2.38 -4.090526170e+00 -4.090526170e+00 2.40 -4.092159088e+00 -4.092159088e+00 2.42 -4.088121134e+00 -4.088121134e+00 2.44 -4.078857687e+00 -4.078857687e+00 2.46 -4.064795872e+00 -4.064795872e+00 2.48 -4.046350131e+00 -4.046350131e+00 2.50 -4.023907306e+00 -4.023907306e+00 2.52 -3.997826953e+00 -3.997826953e+00 2.54 -3.968443221e+00 -3.968443221e+00 2.56 -3.936066590e+00 -3.936066590e+00 2.58 -3.900985489e+00 -3.900985489e+00 2.60 -3.863467804e+00 -3.863467804e+00 2.62 -3.823762281e+00 -3.823762281e+00 2.64 -3.782099830e+00 -3.782099830e+00 2.66 -3.738694743e+00 -3.738694743e+00 2.68 -3.693745818e+00 -3.693745818e+00 2.70 -3.647437420e+00 -3.647437420e+00 2.72 -3.599940458e+00 -3.599940458e+00 2.74 -3.551413300e+00 -3.551413300e+00 2.76 -3.502002621e+00 -3.502002621e+00 2.78 -3.451844203e+00 -3.451844203e+00 2.80 -3.401063667e+00 -3.401063667e+00 2.82 -3.349777164e+00 -3.349777164e+00 2.84 -3.298092021e+00 -3.298092021e+00 2.86 -3.246107334e+00 -3.246107334e+00 2.88 -3.193914529e+00 -3.193914529e+00 2.90 -3.141597884e+00 -3.141597884e+00 2.92 -3.089235009e+00 -3.089235009e+00 2.94 -3.036897304e+00 -3.036897304e+00 2.96 -2.984650382e+00 -2.984650382e+00 2.98 -2.932554455e+00 -2.932554455e+00 3.00 -2.880664714e+00 -2.880664714e+00 3.02 -2.829031659e+00 -2.829031659e+00 3.04 -2.777701430e+00 -2.777701430e+00 3.06 -2.726716099e+00 -2.726716099e+00 3.08 -2.676113951e+00 -2.676113951e+00 3.10 -2.625929748e+00 -2.625929748e+00 3.12 -2.576194964e+00 -2.576194964e+00 3.14 -2.526938020e+00 -2.526938020e+00 3.16 -2.478184491e+00 -2.478184491e+00 3.18 -2.429957307e+00 -2.429957307e+00 3.20 -2.382276934e+00 -2.382276934e+00 3.22 -2.335161553e+00 -2.335161553e+00 3.24 -2.288627212e+00 -2.288627212e+00 3.26 -2.242687985e+00 -2.242687985e+00 3.28 -2.197356109e+00 -2.197356109e+00 3.30 -2.152642116e+00 -2.152642116e+00 3.32 -2.108554954e+00 -2.108554954e+00 3.34 -2.065102104e+00 -2.065102104e+00 3.36 -2.022289687e+00 -2.022289687e+00 3.38 -1.980122562e+00 -1.980122562e+00 3.40 -1.938604422e+00 -1.938604422e+00 3.42 -1.897737880e+00 -1.897737880e+00 3.44 -1.857524550e+00 -1.857524550e+00 3.46 -1.817965125e+00 -1.817965125e+00 3.48 -1.779059448e+00 -1.779059448e+00 3.50 -1.740806575e+00 -1.740806575e+00 3.52 -1.703204843e+00 -1.703204843e+00 3.54 -1.666251924e+00 -1.666251924e+00 3.56 -1.629944880e+00 -1.629944880e+00 3.58 -1.594280215e+00 -1.594280215e+00 3.60 -1.559253919e+00 -1.559253919e+00 3.62 -1.524861516e+00 -1.524861516e+00 3.64 -1.491098104e+00 -1.491098104e+00 3.66 -1.457958393e+00 -1.457958393e+00 3.68 -1.425436739e+00 -1.425436739e+00 3.70 -1.393527181e+00 -1.393527181e+00 3.72 -1.362223471e+00 -1.362223471e+00 3.74 -1.331519103e+00 -1.331519103e+00 3.76 -1.301407339e+00 -1.301407339e+00 3.78 -1.271881236e+00 -1.271881236e+00 3.80 -1.242933670e+00 -1.242933670e+00 3.82 -1.214557356e+00 -1.214557356e+00 3.84 -1.186744869e+00 -1.186744869e+00 3.86 -1.159488665e+00 -1.159488665e+00 3.88 -1.132781097e+00 -1.132781097e+00 3.90 -1.106614432e+00 -1.106614432e+00 3.92 -1.080980866e+00 -1.080980866e+00 3.94 -1.055872539e+00 -1.055872539e+00 3.96 -1.031281547e+00 -1.031281547e+00 3.98 -1.007199956e+00 -1.007199956e+00 4.00 -9.836198118e-01 -9.836198118e-01 4.02 -9.605331521e-01 -9.605331521e-01 4.04 -9.379320147e-01 -9.379320147e-01 4.06 -9.158084473e-01 -9.158084473e-01 4.08 -8.941545160e-01 -8.941545160e-01 4.10 -8.729623128e-01 -8.729623128e-01 4.12 -8.522239625e-01 -8.522239625e-01 4.14 -8.319316296e-01 -8.319316296e-01 4.16 -8.120775240e-01 -8.120775240e-01 4.18 -7.926539065e-01 -7.926539065e-01 4.20 -7.736530941e-01 -7.736530941e-01 4.22 -7.550674643e-01 -7.550674643e-01 4.24 -7.368894595e-01 -7.368894595e-01 4.26 -7.190622492e-01 -7.190622492e-01 4.28 -7.005530761e-01 -7.005530761e-01 4.30 -6.771403717e-01 -6.771403717e-01 4.32 -6.390957289e-01 -6.390957289e-01 4.34 -6.140394417e-01 -6.140394417e-01 4.36 -5.992263841e-01 -5.992263841e-01 4.38 -5.847344107e-01 -5.847344107e-01 4.40 -5.705577697e-01 -5.705577697e-01 4.42 -5.566907636e-01 -5.566907636e-01 4.44 -5.431277513e-01 -5.431277513e-01 4.46 -5.298631501e-01 -5.298631501e-01 4.48 -5.168914370e-01 -5.168914370e-01 4.50 -5.042071501e-01 -5.042071501e-01 4.52 -4.918048904e-01 -4.918048904e-01 4.54 -4.796793225e-01 -4.796793225e-01 4.56 -4.678251758e-01 -4.678251758e-01 4.58 -4.562372454e-01 -4.562372454e-01 4.60 -4.449103932e-01 -4.449103932e-01 4.62 -4.338395482e-01 -4.338395482e-01 4.64 -4.230197073e-01 -4.230197073e-01 4.66 -4.124459359e-01 -4.124459359e-01 4.68 -4.021133681e-01 -4.021133681e-01 4.70 -3.920172071e-01 -3.920172071e-01 4.72 -3.821527255e-01 -3.821527255e-01 4.74 -3.725152654e-01 -3.725152654e-01 4.76 -3.631002384e-01 -3.631002384e-01 4.78 -3.539031257e-01 -3.539031257e-01 4.80 -3.449194780e-01 -3.449194780e-01 4.82 -3.361449153e-01 -3.361449153e-01 4.84 -3.275751269e-01 -3.275751269e-01 4.86 -3.192058710e-01 -3.192058710e-01 4.88 -3.110329742e-01 -3.110329742e-01 4.90 -3.030523319e-01 -3.030523319e-01 4.92 -2.947504011e-01 -2.947504011e-01 4.94 -2.797062005e-01 -2.797062005e-01 4.96 -2.399948187e-01 -2.399948187e-01 4.98 -1.427401896e-01 -1.427401896e-01 5.00 -1.506108112e-22 -1.504124232e-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 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