# 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 = B3C # 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 2024-11-27 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 9.438013470e+02 nan nan 0.56 8.279730710e+02 nan nan 0.58 7.267011459e+02 9.893130607e+02 nan 0.60 6.396468530e+02 8.753681701e+02 9.735394363e+02 0.62 5.696439783e+02 7.842300433e+02 8.687691938e+02 0.64 5.066962190e+02 7.021004694e+02 7.739757307e+02 0.66 4.495809197e+02 6.260759347e+02 6.892544517e+02 0.68 4.010361024e+02 5.587847989e+02 6.178689924e+02 0.70 3.571381421e+02 5.007649310e+02 5.584079242e+02 0.72 3.140583182e+02 4.504914985e+02 5.022820300e+02 0.74 2.763646032e+02 4.056493148e+02 4.471436822e+02 0.76 2.469610431e+02 3.616785989e+02 3.975227359e+02 0.78 2.237404651e+02 3.198054050e+02 3.577521787e+02 0.80 2.030696435e+02 2.847488226e+02 3.248545353e+02 0.82 1.834905099e+02 2.572761521e+02 2.955251335e+02 0.84 1.636001445e+02 2.339306611e+02 2.689169602e+02 0.86 1.445301888e+02 2.127193366e+02 2.430797574e+02 0.88 1.277613935e+02 1.936939527e+02 2.181260869e+02 0.90 1.143546684e+02 1.769742250e+02 1.957167506e+02 0.92 1.033571758e+02 1.620262745e+02 1.773702549e+02 0.94 9.372955282e+01 1.481968536e+02 1.619198947e+02 0.96 8.472503845e+01 1.349648409e+02 1.475112279e+02 0.98 7.615179872e+01 1.219594329e+02 1.335738672e+02 1.00 6.819831651e+01 1.084896978e+02 1.206783279e+02 1.02 6.072140443e+01 9.516684792e+01 1.095053746e+02 1.04 5.334443010e+01 8.297677589e+01 1.001634370e+02 1.06 4.566155754e+01 7.279501971e+01 9.195146653e+01 1.08 3.828560485e+01 6.536010100e+01 8.413308421e+01 1.10 3.208675259e+01 5.955175690e+01 7.564014791e+01 1.12 2.705290608e+01 5.450674635e+01 6.656474101e+01 1.14 2.316521724e+01 4.976987549e+01 5.736596256e+01 1.16 2.002087397e+01 4.488270658e+01 4.880741927e+01 1.18 1.755908412e+01 3.970836640e+01 4.200021680e+01 1.20 1.560482390e+01 3.425745896e+01 3.728907011e+01 1.22 1.382138505e+01 2.891244991e+01 3.380903423e+01 1.24 1.219788563e+01 2.431149701e+01 3.081691776e+01 1.26 1.072469990e+01 2.111296037e+01 2.806139485e+01 1.28 9.389143551e+00 1.873996818e+01 2.552348498e+01 1.30 8.179554880e+00 1.679180578e+01 2.317767562e+01 1.32 7.085214413e+00 1.502316178e+01 2.096462461e+01 1.34 6.096270702e+00 1.340610983e+01 1.868242717e+01 1.36 5.203671901e+00 1.192866674e+01 1.630543574e+01 1.38 4.399102648e+00 1.057976109e+01 1.382683460e+01 1.40 3.674925850e+00 9.349165156e+00 1.138419925e+01 1.42 3.024128999e+00 8.227431852e+00 9.167100635e+00 1.44 2.440274655e+00 7.205836385e+00 7.385867658e+00 1.46 1.917454798e+00 6.276322198e+00 6.132731632e+00 1.48 1.450248730e+00 5.431450925e+00 5.148679190e+00 1.50 1.033684263e+00 4.664356056e+00 4.346058857e+00 1.52 6.514657125e-01 3.968700029e+00 3.620936618e+00 1.54 2.260812679e-01 3.338634512e+00 2.963332906e+00 1.56 -2.539136371e-01 2.768763622e+00 2.367882362e+00 1.58 -8.121923520e-01 2.254109879e+00 1.829617512e+00 1.60 -1.427926185e+00 1.790082685e+00 1.343940295e+00 1.62 -2.052161473e+00 1.336674549e+00 9.065955841e-01 1.64 -2.605075836e+00 8.551028131e-01 5.136465662e-01 1.66 -2.970170607e+00 3.599673386e-01 1.614518571e-01 1.68 -3.003484376e+00 -1.511304846e-01 -1.533557783e-01 1.70 -2.844017778e+00 -6.547100331e-01 -4.338892049e-01 1.72 -2.567003830e+00 -1.124186332e+00 -6.830253031e-01 1.74 -2.179795915e+00 -1.525763354e+00 -9.034220568e-01 1.76 -1.702444401e+00 -1.819093976e+00 -1.097534435e+00 1.78 -1.179575577e+00 -1.977133472e+00 -1.267629150e+00 1.80 -6.809112990e-01 -2.064024047e+00 -1.415798369e+00 1.82 -3.126137151e-01 -2.111964099e+00 -1.543972462e+00 1.84 -2.174864899e-01 -2.138554758e+00 -1.653931832e+00 1.86 -2.103603880e-01 -2.155358027e+00 -1.754617137e+00 1.88 -2.032694872e-01 -2.151659521e+00 -1.876690986e+00 1.90 -1.963668984e-01 -2.107344908e+00 -1.986994341e+00 1.92 -1.850500324e-01 -2.006310815e+00 -2.047145860e+00 1.94 -1.657433115e-01 -1.832874942e+00 -2.017124019e+00 1.96 -1.405189345e-01 -1.571097965e+00 -1.854174525e+00 1.98 -1.118919365e-01 -1.219243385e+00 -1.534437605e+00 2.00 -8.255050256e-02 -8.050471790e-01 -1.076637029e+00 2.02 -5.508242577e-02 -4.004248254e-01 -5.684417080e-01 2.04 -3.172937656e-02 -1.167676202e-01 -1.741517318e-01 2.06 -1.419371140e-02 -3.784712328e-02 -5.677068423e-02 2.08 -3.511819484e-03 -9.364848988e-03 -1.404727348e-02 2.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.18 0.000000000e+00 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0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 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