# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = BCN2 # 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 2022-05-24 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 1.434019954e+03 1.434019954e+03 0.60 1.272183933e+03 1.272183933e+03 0.62 1.139547677e+03 1.139547677e+03 0.64 1.020204741e+03 1.020204741e+03 0.66 9.052759465e+02 9.052759465e+02 0.68 8.101495556e+02 8.101495556e+02 0.70 7.244860997e+02 7.244860997e+02 0.72 6.524567188e+02 6.524567188e+02 0.74 5.883265043e+02 5.883265043e+02 0.76 5.234140429e+02 5.234140429e+02 0.78 4.598244376e+02 4.598244376e+02 0.80 4.104612376e+02 4.104612376e+02 0.82 3.720916933e+02 3.720916933e+02 0.84 3.377009155e+02 3.377009155e+02 0.86 3.059102623e+02 3.059102623e+02 0.88 2.783244601e+02 2.783244601e+02 0.90 2.539016726e+02 2.539016726e+02 0.92 2.318727559e+02 2.318727559e+02 0.94 2.115861163e+02 2.115861163e+02 0.96 1.922819616e+02 1.922819616e+02 0.98 1.729476134e+02 1.729476134e+02 1.00 1.538589527e+02 1.538589527e+02 1.02 1.337381525e+02 1.337381525e+02 1.04 1.157987921e+02 1.157987921e+02 1.06 1.031252309e+02 1.031252309e+02 1.08 9.339148808e+01 9.339148808e+01 1.10 8.506862209e+01 8.506862209e+01 1.12 7.753024253e+01 7.753024253e+01 1.14 7.050074621e+01 7.050074621e+01 1.16 6.346114278e+01 6.346114278e+01 1.18 5.565512240e+01 5.565512240e+01 1.20 4.625257018e+01 4.625257018e+01 1.22 3.740787128e+01 3.740787128e+01 1.24 3.174413766e+01 3.174413766e+01 1.26 2.776914214e+01 2.776914214e+01 1.28 2.456008841e+01 2.456008841e+01 1.30 2.164643047e+01 2.164643047e+01 1.32 1.899091421e+01 1.899091421e+01 1.34 1.657246845e+01 1.657246845e+01 1.36 1.437214418e+01 1.437214418e+01 1.38 1.237243164e+01 1.237243164e+01 1.40 1.055715383e+01 1.055715383e+01 1.42 8.911367776e+00 8.911367776e+00 1.44 7.421272976e+00 7.421272976e+00 1.46 6.074126586e+00 6.074126586e+00 1.48 4.858164786e+00 4.858164786e+00 1.50 3.762529899e+00 3.762529899e+00 1.52 2.777202855e+00 2.777202855e+00 1.54 1.892940600e+00 1.892940600e+00 1.56 1.101218093e+00 1.101218093e+00 1.58 3.941745629e-01 3.941745629e-01 1.60 -2.354362926e-01 -2.354362926e-01 1.62 -8.356038471e-01 -8.356038471e-01 1.64 -1.454514370e+00 -1.454514370e+00 1.66 -2.171296255e+00 -2.171296255e+00 1.68 -3.201437851e+00 -3.201437851e+00 1.70 -4.409158536e+00 -4.409158536e+00 1.72 -5.443058685e+00 -5.443058685e+00 1.74 -5.864013369e+00 -5.864013369e+00 1.76 -6.030405645e+00 -6.030405645e+00 1.78 -6.058644839e+00 -6.058644839e+00 1.80 -6.038039671e+00 -6.038039671e+00 1.82 -6.010427417e+00 -6.010427417e+00 1.84 -5.972146979e+00 -5.972146979e+00 1.86 -5.916086802e+00 -5.916086802e+00 1.88 -5.812441071e+00 -5.812441071e+00 1.90 -5.642489917e+00 -5.642489917e+00 1.92 -5.236864274e+00 -5.236864274e+00 1.94 -4.404065945e+00 -4.404065945e+00 1.96 -3.150208374e+00 -3.150208374e+00 1.98 -1.711076139e+00 -1.711076139e+00 2.00 -7.316402746e-01 -7.316402746e-01 2.02 -3.092644301e-01 -3.092644301e-01 2.04 -3.873888689e-02 -3.873888689e-02 2.06 0.000000000e+00 0.000000000e+00 2.08 0.000000000e+00 0.000000000e+00 2.10 0.000000000e+00 0.000000000e+00 2.12 0.000000000e+00 0.000000000e+00 2.14 0.000000000e+00 0.000000000e+00 2.16 0.000000000e+00 0.000000000e+00 2.18 0.000000000e+00 0.000000000e+00 2.20 0.000000000e+00 0.000000000e+00 2.22 0.000000000e+00 0.000000000e+00 2.24 0.000000000e+00 0.000000000e+00 2.26 0.000000000e+00 0.000000000e+00 2.28 0.000000000e+00 0.000000000e+00 2.30 0.000000000e+00 0.000000000e+00 2.32 0.000000000e+00 0.000000000e+00 2.34 0.000000000e+00 0.000000000e+00 2.36 0.000000000e+00 0.000000000e+00 2.38 0.000000000e+00 0.000000000e+00 2.40 0.000000000e+00 0.000000000e+00 2.42 0.000000000e+00 0.000000000e+00 2.44 0.000000000e+00 0.000000000e+00 2.46 0.000000000e+00 0.000000000e+00 2.48 0.000000000e+00 0.000000000e+00 2.50 0.000000000e+00 0.000000000e+00 2.52 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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