# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Cr # implementation = 2017--Choi-W-M--Cr--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cr Cr 0.02 3.773767910e+03 0.04 3.543057338e+03 0.06 3.326204123e+03 0.08 3.122318584e+03 0.10 2.930586669e+03 0.12 2.750259619e+03 0.14 2.580645581e+03 0.16 2.421102761e+03 0.18 2.271033813e+03 0.20 2.129881195e+03 0.22 1.997123306e+03 0.24 1.872271227e+03 0.26 1.754865959e+03 0.28 1.644476050e+03 0.30 1.540695534e+03 0.32 1.443142125e+03 0.34 1.351455616e+03 0.36 1.265296441e+03 0.38 1.184344390e+03 0.40 1.108297421e+03 0.42 1.036870588e+03 0.44 9.697950398e+02 0.46 9.068170977e+02 0.48 8.476973961e+02 0.50 7.922100776e+02 0.52 7.401420398e+02 0.54 6.912922276e+02 0.56 6.454709667e+02 0.58 6.024993353e+02 0.60 5.622085722e+02 0.62 5.244395269e+02 0.64 4.890421242e+02 0.66 4.558748491e+02 0.68 4.248042782e+02 0.70 3.957046330e+02 0.72 3.684573475e+02 0.74 3.429506882e+02 0.76 3.190793807e+02 0.78 2.967442476e+02 0.80 2.758518675e+02 0.82 2.563142640e+02 0.84 2.380485917e+02 0.86 2.209768330e+02 0.88 2.050255298e+02 0.90 1.901255284e+02 0.92 1.762117386e+02 0.94 1.632228924e+02 0.96 1.511013332e+02 0.98 1.397928286e+02 1.00 1.292463751e+02 1.02 1.194140120e+02 1.04 1.102506464e+02 1.06 1.017138885e+02 1.08 9.376390802e+01 1.10 8.636328495e+01 1.12 7.947685145e+01 1.14 7.307156195e+01 1.16 6.711637180e+01 1.18 6.158212254e+01 1.20 5.644143328e+01 1.22 5.166859789e+01 1.24 4.723947775e+01 1.26 4.313140456e+01 1.28 3.932311658e+01 1.30 3.579467737e+01 1.32 3.252739655e+01 1.34 2.950375509e+01 1.36 2.670733503e+01 1.38 2.412275334e+01 1.40 2.173559966e+01 1.42 1.953238111e+01 1.44 1.750048422e+01 1.46 1.562810323e+01 1.48 1.390418180e+01 1.50 1.231836870e+01 1.52 1.086097586e+01 1.54 9.522938795e+00 1.56 8.295779213e+00 1.58 7.171569730e+00 1.60 6.142900521e+00 1.62 5.202847909e+00 1.64 4.344938900e+00 1.66 3.563107148e+00 1.68 2.851690016e+00 1.70 2.205409981e+00 1.72 1.619349871e+00 1.74 1.088929624e+00 1.76 6.098845216e-01 1.78 1.782447498e-01 1.80 -2.096837338e-01 1.82 -5.573371634e-01 1.84 -8.679107827e-01 1.86 -1.144374625e+00 1.88 -1.389487728e+00 1.90 -1.605795955e+00 1.92 -1.795647011e+00 1.94 -1.961223863e+00 1.96 -2.104556243e+00 1.98 -2.227530281e+00 2.00 -2.331897588e+00 2.02 -2.419283809e+00 2.04 -2.491196682e+00 2.06 -2.549033616e+00 2.08 -2.594088831e+00 2.10 -2.627560059e+00 2.12 -2.650554856e+00 2.14 -2.664096520e+00 2.16 -2.669129653e+00 2.18 -2.666531432e+00 2.20 -2.657134912e+00 2.22 -2.641709696e+00 2.24 -2.620958812e+00 2.26 -2.595523589e+00 2.28 -2.565988152e+00 2.30 -2.532883579e+00 2.32 -2.496691704e+00 2.34 -2.457848602e+00 2.36 -2.416747735e+00 2.38 -2.373742766e+00 2.40 -2.329150029e+00 2.42 -2.283250623e+00 2.44 -2.236292092e+00 2.46 -2.188489621e+00 2.48 -2.140026662e+00 2.50 -2.091054705e+00 2.52 -2.041679258e+00 2.54 -1.991948579e+00 2.56 -1.941875373e+00 2.58 -1.891432841e+00 2.60 -1.840544243e+00 2.62 -1.789067784e+00 2.64 -1.736774866e+00 2.66 -1.683319131e+00 2.68 -1.628193180e+00 2.70 -1.570670212e+00 2.72 -1.509730815e+00 2.74 -1.443985045e+00 2.76 -1.371625162e+00 2.78 -1.290497072e+00 2.80 -1.198462045e+00 2.82 -1.094280764e+00 2.84 -9.790942501e-01 2.86 -8.579222549e-01 2.88 -7.396929319e-01 2.90 -6.345935586e-01 2.92 -5.499238425e-01 2.94 -4.875677007e-01 2.96 -4.446578687e-01 2.98 -4.160846998e-01 3.00 -3.967741791e-01 3.02 -3.828342170e-01 3.04 -3.717459061e-01 3.06 -3.620847215e-01 3.08 -3.531363923e-01 3.10 -3.445812899e-01 3.12 -3.362906055e-01 3.14 -3.282161007e-01 3.16 -3.203392203e-01 3.18 -3.126509795e-01 3.20 -3.051451737e-01 3.22 -2.978164276e-01 3.24 -2.906597156e-01 3.26 -2.836702536e-01 3.28 -2.768434704e-01 3.30 -2.701749919e-01 3.32 -2.636606283e-01 3.34 -2.572963631e-01 3.36 -2.510783420e-01 3.38 -2.450028629e-01 3.40 -2.390663669e-01 3.42 -2.332654291e-01 3.44 -2.275967511e-01 3.46 -2.220571533e-01 3.48 -2.166435678e-01 3.50 -2.113530320e-01 3.52 -2.061826827e-01 3.54 -2.011297504e-01 3.56 -1.961915538e-01 3.58 -1.913654956e-01 3.60 -1.866490573e-01 3.62 -1.820397953e-01 3.64 -1.775353370e-01 3.66 -1.731333772e-01 3.68 -1.688316744e-01 3.70 -1.646280481e-01 3.72 -1.605203756e-01 3.74 -1.565065892e-01 3.76 -1.525846738e-01 3.78 -1.487526646e-01 3.80 -1.450086446e-01 3.82 -1.413507429e-01 3.84 -1.377771324e-01 3.86 -1.342860285e-01 3.88 -1.308756868e-01 3.90 -1.275444021e-01 3.92 -1.238930953e-01 3.94 -1.149907881e-01 3.96 -8.940270513e-02 3.98 -4.007778624e-02 4.00 -3.534623936e-29 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00