# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--LAMMPS--ipr1 # composition = Co2CrNi # 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 4.632159047e+02 4.632159047e+02 1.00 4.189271745e+02 4.189271745e+02 1.02 3.782533414e+02 3.782533414e+02 1.04 3.410608731e+02 3.410608731e+02 1.06 3.071760378e+02 3.071760378e+02 1.08 2.764002016e+02 2.764002016e+02 1.10 2.485213222e+02 2.485213222e+02 1.12 2.233224833e+02 2.233224833e+02 1.14 2.005881295e+02 2.005881295e+02 1.16 1.801085154e+02 1.801085154e+02 1.18 1.616827815e+02 1.616827815e+02 1.20 1.451209734e+02 1.451209734e+02 1.22 1.302452558e+02 1.302452558e+02 1.24 1.168905231e+02 1.168905231e+02 1.26 1.049045577e+02 1.049045577e+02 1.28 9.414785821e+01 9.414785821e+01 1.30 8.449323510e+01 8.449323510e+01 1.32 7.582524356e+01 7.582524356e+01 1.34 6.803951208e+01 6.803951208e+01 1.36 6.104201094e+01 6.104201094e+01 1.38 5.474829050e+01 5.474829050e+01 1.40 4.908271677e+01 4.908271677e+01 1.42 4.397772076e+01 4.397772076e+01 1.44 3.937307347e+01 3.937307347e+01 1.46 3.521519724e+01 3.521519724e+01 1.48 3.145651733e+01 3.145651733e+01 1.50 2.805485723e+01 2.805485723e+01 1.52 2.497288018e+01 2.497288018e+01 1.54 2.217757522e+01 2.217757522e+01 1.56 1.963978760e+01 1.963978760e+01 1.58 1.733379239e+01 1.733379239e+01 1.60 1.523690799e+01 1.523690799e+01 1.62 1.332913399e+01 1.332913399e+01 1.64 1.159273461e+01 1.159273461e+01 1.66 1.001190120e+01 1.001190120e+01 1.68 8.572533065e+00 8.572533065e+00 1.70 7.262047387e+00 7.262047387e+00 1.72 6.069209954e+00 6.069209954e+00 1.74 4.983984308e+00 4.983984308e+00 1.76 3.997376564e+00 3.997376564e+00 1.78 3.101233311e+00 3.101233311e+00 1.80 2.288078178e+00 2.288078178e+00 1.82 1.551041026e+00 1.551041026e+00 1.84 8.838084813e-01 8.838084813e-01 1.86 2.805784898e-01 2.805784898e-01 1.88 -2.639813882e-01 -2.639813882e-01 1.90 -7.547721204e-01 -7.547721204e-01 1.92 -1.196298209e+00 -1.196298209e+00 1.94 -1.592699806e+00 -1.592699806e+00 1.96 -1.947782128e+00 -1.947782128e+00 1.98 -2.265042491e+00 -2.265042491e+00 2.00 -2.547695050e+00 -2.547695050e+00 2.02 -2.798744233e+00 -2.798744233e+00 2.04 -3.021153868e+00 -3.021153868e+00 2.06 -3.217664451e+00 -3.217664451e+00 2.08 -3.390751293e+00 -3.390751293e+00 2.10 -3.542650330e+00 -3.542650330e+00 2.12 -3.675381354e+00 -3.675381354e+00 2.14 -3.790769021e+00 -3.790769021e+00 2.16 -3.890461826e+00 -3.890461826e+00 2.18 -3.975949047e+00 -3.975949047e+00 2.20 -4.048574867e+00 -4.048574867e+00 2.22 -4.109553528e+00 -4.109553528e+00 2.24 -4.159982838e+00 -4.159982838e+00 2.26 -4.200855528e+00 -4.200855528e+00 2.28 -4.233069483e+00 -4.233069483e+00 2.30 -4.257436725e+00 -4.257436725e+00 2.32 -4.274682686e+00 -4.274682686e+00 2.34 -4.285453067e+00 -4.285453067e+00 2.36 -4.290333388e+00 -4.290333388e+00 2.38 -4.289855599e+00 -4.289855599e+00 2.40 -4.284503259e+00 -4.284503259e+00 2.42 -4.274716189e+00 -4.274716189e+00 2.44 -4.260894684e+00 -4.260894684e+00 2.46 -4.243403300e+00 -4.243403300e+00 2.48 -4.222574279e+00 -4.222574279e+00 2.50 -4.198710626e+00 -4.198710626e+00 2.52 -4.172088895e+00 -4.172088895e+00 2.54 -4.142961692e+00 -4.142961692e+00 2.56 -4.111559933e+00 -4.111559933e+00 2.58 -4.078094887e+00 -4.078094887e+00 2.60 -4.042760002e+00 -4.042760002e+00 2.62 -4.005732568e+00 -4.005732568e+00 2.64 -3.967175204e+00 -3.967175204e+00 2.66 -3.927237200e+00 -3.927237200e+00 2.68 -3.886055734e+00 -3.886055734e+00 2.70 -3.843756954e+00 -3.843756954e+00 2.72 -3.800456970e+00 -3.800456970e+00 2.74 -3.756262733e+00 -3.756262733e+00 2.76 -3.711272832e+00 -3.711272832e+00 2.78 -3.665578220e+00 -3.665578220e+00 2.80 -3.619262853e+00 -3.619262853e+00 2.82 -3.572404278e+00 -3.572404278e+00 2.84 -3.525074160e+00 -3.525074160e+00 2.86 -3.477338756e+00 -3.477338756e+00 2.88 -3.429259343e+00 -3.429259343e+00 2.90 -3.380892610e+00 -3.380892610e+00 2.92 -3.332291001e+00 -3.332291001e+00 2.94 -3.283503042e+00 -3.283503042e+00 2.96 -3.234573619e+00 -3.234573619e+00 2.98 -3.185544246e+00 -3.185544246e+00 3.00 -3.136453297e+00 -3.136453297e+00 3.02 -3.087336222e+00 -3.087336222e+00 3.04 -3.038225743e+00 -3.038225743e+00 3.06 -2.989152027e+00 -2.989152027e+00 3.08 -2.940142855e+00 -2.940142855e+00 3.10 -2.891223761e+00 -2.891223761e+00 3.12 -2.842418170e+00 -2.842418170e+00 3.14 -2.793747524e+00 -2.793747524e+00 3.16 -2.745231389e+00 -2.745231389e+00 3.18 -2.696887566e+00 -2.696887566e+00 3.20 -2.648732184e+00 -2.648732184e+00 3.22 -2.600779794e+00 -2.600779794e+00 3.24 -2.553043454e+00 -2.553043454e+00 3.26 -2.505534814e+00 -2.505534814e+00 3.28 -2.458264196e+00 -2.458264196e+00 3.30 -2.411240677e+00 -2.411240677e+00 3.32 -2.364472167e+00 -2.364472167e+00 3.34 -2.317965496e+00 -2.317965496e+00 3.36 -2.271726497e+00 -2.271726497e+00 3.38 -2.225760107e+00 -2.225760107e+00 3.40 -2.180070459e+00 -2.180070459e+00 3.42 -2.134660999e+00 -2.134660999e+00 3.44 -2.089534602e+00 -2.089534602e+00 3.46 -2.044693713e+00 -2.044693713e+00 3.48 -2.000140500e+00 -2.000140500e+00 3.50 -1.955877019e+00 -1.955877019e+00 3.52 -1.911905416e+00 -1.911905416e+00 3.54 -1.868228144e+00 -1.868228144e+00 3.56 -1.824848204e+00 -1.824848204e+00 3.58 -1.781769428e+00 -1.781769428e+00 3.60 -1.738996780e+00 -1.738996780e+00 3.62 -1.696536696e+00 -1.696536696e+00 3.64 -1.654397453e+00 -1.654397453e+00 3.66 -1.612589563e+00 -1.612589563e+00 3.68 -1.571126191e+00 -1.571126191e+00 3.70 -1.530023585e+00 -1.530023585e+00 3.72 -1.489301509e+00 -1.489301509e+00 3.74 -1.448983654e+00 -1.448983654e+00 3.76 -1.409098014e+00 -1.409098014e+00 3.78 -1.369677197e+00 -1.369677197e+00 3.80 -1.330758627e+00 -1.330758627e+00 3.82 -1.292384626e+00 -1.292384626e+00 3.84 -1.254602312e+00 -1.254602312e+00 3.86 -1.217463283e+00 -1.217463283e+00 3.88 -1.181023069e+00 -1.181023069e+00 3.90 -1.145340293e+00 -1.145340293e+00 3.92 -1.110475565e+00 -1.110475565e+00 3.94 -1.076490088e+00 -1.076490088e+00 3.96 -1.043444015e+00 -1.043444015e+00 3.98 -1.011394611e+00 -1.011394611e+00 4.00 -9.803942987e-01 -9.803942987e-01 4.02 -9.504886860e-01 -9.504886860e-01 4.04 -9.217146976e-01 -9.217146976e-01 4.06 -8.940989332e-01 -8.940989332e-01 4.08 -8.676563730e-01 -8.676563730e-01 4.10 -8.423895325e-01 -8.423895325e-01 4.12 -8.182881396e-01 -8.182881396e-01 4.14 -7.953293698e-01 -7.953293698e-01 4.16 -7.734786296e-01 -7.734786296e-01 4.18 -7.526908403e-01 -7.526908403e-01 4.20 -7.329121318e-01 -7.329121318e-01 4.22 -7.140818331e-01 -7.140818331e-01 4.24 -6.961346264e-01 -6.961346264e-01 4.26 -6.790452492e-01 -6.790452492e-01 4.28 -6.641300280e-01 -6.641300280e-01 4.30 -6.589812200e-01 -6.589812200e-01 4.32 -6.689043073e-01 -6.689043073e-01 4.34 -6.615828018e-01 -6.615828018e-01 4.36 -6.471970489e-01 -6.471970489e-01 4.38 -6.330773086e-01 -6.330773086e-01 4.40 -6.192205504e-01 -6.192205504e-01 4.42 -6.056236748e-01 -6.056236748e-01 4.44 -5.922835180e-01 -5.922835180e-01 4.46 -5.791968569e-01 -5.791968569e-01 4.48 -5.663604147e-01 -5.663604147e-01 4.50 -5.537708676e-01 -5.537708676e-01 4.52 -5.414248510e-01 -5.414248510e-01 4.54 -5.293189670e-01 -5.293189670e-01 4.56 -5.174497915e-01 -5.174497915e-01 4.58 -5.058138811e-01 -5.058138811e-01 4.60 -4.944077810e-01 -4.944077810e-01 4.62 -4.832280311e-01 -4.832280311e-01 4.64 -4.722711730e-01 -4.722711730e-01 4.66 -4.615337560e-01 -4.615337560e-01 4.68 -4.510123423e-01 -4.510123423e-01 4.70 -4.407035119e-01 -4.407035119e-01 4.72 -4.306038666e-01 -4.306038666e-01 4.74 -4.207100336e-01 -4.207100336e-01 4.76 -4.110186679e-01 -4.110186679e-01 4.78 -4.015264545e-01 -4.015264545e-01 4.80 -3.922301100e-01 -3.922301100e-01 4.82 -3.831263833e-01 -3.831263833e-01 4.84 -3.742120563e-01 -3.742120563e-01 4.86 -3.654839440e-01 -3.654839440e-01 4.88 -3.569388944e-01 -3.569388944e-01 4.90 -3.485737882e-01 -3.485737882e-01 4.92 -3.394041614e-01 -3.394041614e-01 4.94 -3.171769520e-01 -3.171769520e-01 4.96 -2.525304566e-01 -2.525304566e-01 4.98 -1.217788394e-01 -1.217788394e-01 5.00 -4.441166223e-23 -4.447285515e-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 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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