# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-2 # implementation = 2015--Borovikov-V--fictional-Cu-2--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 Cu Cu 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887458400e+04 0.14 2.945556800e+04 0.16 2.288990710e+04 0.18 1.814118380e+04 0.20 1.460754901e+04 0.22 1.191802025e+04 0.24 9.832881650e+03 0.26 8.191241858e+03 0.28 6.881708883e+03 0.30 5.825151015e+03 0.32 4.964126528e+03 0.34 4.256165960e+03 0.36 3.669369698e+03 0.38 3.179445537e+03 0.40 2.767669017e+03 0.42 2.419450780e+03 0.44 2.123312581e+03 0.46 1.870144009e+03 0.48 1.652655597e+03 0.50 1.464971412e+03 0.52 1.302322216e+03 0.54 1.160812072e+03 0.56 1.037239205e+03 0.58 9.289573544e+02 0.60 8.337676505e+02 0.62 7.498336848e+02 0.64 6.756143566e+02 0.66 6.098104368e+02 0.68 5.513218163e+02 0.70 4.992131098e+02 0.72 4.526858343e+02 0.74 4.110557914e+02 0.76 3.737345933e+02 0.78 3.402145035e+02 0.80 3.100559431e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844246e+02 1.02 1.185661244e+02 1.04 1.089094288e+02 1.06 9.996165267e+01 1.08 9.167371268e+01 1.10 8.399986819e+01 1.12 7.689748399e+01 1.14 7.032681146e+01 1.16 6.425078653e+01 1.18 5.863484296e+01 1.20 5.344673973e+01 1.22 4.865640140e+01 1.24 4.423577031e+01 1.26 4.015866971e+01 1.28 3.640067694e+01 1.30 3.293900583e+01 1.32 2.975239755e+01 1.34 2.682101932e+01 1.36 2.412637029e+01 1.38 2.165119399e+01 1.40 1.937939697e+01 1.42 1.729597300e+01 1.44 1.538693248e+01 1.46 1.363923667e+01 1.48 1.204073627e+01 1.50 1.058011417e+01 1.52 9.246831955e+00 1.54 8.031079893e+00 1.56 6.923730182e+00 1.58 5.916293205e+00 1.60 5.000876566e+00 1.62 4.170146724e+00 1.64 3.417293026e+00 1.66 2.735993984e+00 1.68 2.120385636e+00 1.70 1.565031850e+00 1.72 1.064896444e+00 1.74 6.153169928e-01 1.76 2.119802328e-01 1.78 -1.491010630e-01 1.80 -4.716098138e-01 1.82 -7.589450561e-01 1.84 -1.014241145e+00 1.86 -1.240385805e+00 1.88 -1.440037094e+00 1.90 -1.615639350e+00 1.92 -1.769438177e+00 1.94 -1.903494516e+00 1.96 -2.019697868e+00 1.98 -2.119778699e+00 2.00 -2.205319838e+00 2.02 -2.270269737e+00 2.04 -2.312843671e+00 2.06 -2.339512126e+00 2.08 -2.355143050e+00 2.10 -2.363312000e+00 2.12 -2.366568122e+00 2.14 -2.366660312e+00 2.16 -2.364727425e+00 2.18 -2.361456241e+00 2.20 -2.357210703e+00 2.22 -2.352135748e+00 2.24 -2.346238870e+00 2.26 -2.339452386e+00 2.28 -2.331679143e+00 2.30 -2.322824273e+00 2.32 -2.312815372e+00 2.34 -2.301613329e+00 2.36 -2.289215797e+00 2.38 -2.275655178e+00 2.40 -2.260992734e+00 2.42 -2.245310304e+00 2.44 -2.228700878e+00 2.46 -2.211259121e+00 2.48 -2.193072798e+00 2.50 -2.174215783e+00 2.52 -2.154743178e+00 2.54 -2.134688882e+00 2.56 -2.114065767e+00 2.58 -2.092868434e+00 2.60 -2.071078322e+00 2.62 -2.048670777e+00 2.64 -2.025623479e+00 2.66 -2.001925456e+00 2.68 -1.977585717e+00 2.70 -1.952640364e+00 2.72 -1.927156823e+00 2.74 -1.901233698e+00 2.76 -1.874994519e+00 2.78 -1.848573490e+00 2.80 -1.822091157e+00 2.82 -1.795622186e+00 2.84 -1.769202108e+00 2.86 -1.742858998e+00 2.88 -1.716617384e+00 2.90 -1.690498631e+00 2.92 -1.664521315e+00 2.94 -1.638701590e+00 2.96 -1.613053521e+00 2.98 -1.587589273e+00 3.00 -1.562319443e+00 3.02 -1.537253348e+00 3.04 -1.512399058e+00 3.06 -1.487763733e+00 3.08 -1.463353804e+00 3.10 -1.439174889e+00 3.12 -1.415232305e+00 3.14 -1.391530738e+00 3.16 -1.368074731e+00 3.18 -1.344868482e+00 3.20 -1.321916063e+00 3.22 -1.299221431e+00 3.24 -1.276788389e+00 3.26 -1.254620586e+00 3.28 -1.232721605e+00 3.30 -1.211094660e+00 3.32 -1.189743303e+00 3.34 -1.168670195e+00 3.36 -1.147878799e+00 3.38 -1.127371429e+00 3.40 -1.107150852e+00 3.42 -1.087219702e+00 3.44 -1.067579446e+00 3.46 -1.048232678e+00 3.48 -1.029180654e+00 3.50 -1.010424114e+00 3.52 -9.919649511e-01 3.54 -9.738031187e-01 3.56 -9.559380467e-01 3.58 -9.383704989e-01 3.60 -9.210998176e-01 3.62 -9.041231107e-01 3.64 -8.874393421e-01 3.66 -8.710480096e-01 3.68 -8.549443519e-01 3.70 -8.391240763e-01 3.72 -8.235846880e-01 3.74 -8.083242416e-01 3.76 -7.933349464e-01 3.78 -7.786093876e-01 3.80 -7.641432646e-01 3.82 -7.499330213e-01 3.84 -7.359740965e-01 3.86 -7.222508895e-01 3.88 -7.087554960e-01 3.90 -6.954830934e-01 3.92 -6.824295271e-01 3.94 -6.695911384e-01 3.96 -6.569520743e-01 3.98 -6.444863846e-01 4.00 -6.321924011e-01 4.02 -6.200692217e-01 4.04 -6.081160572e-01 4.06 -5.963321815e-01 4.08 -5.847169023e-01 4.10 -5.731229999e-01 4.12 -5.614230382e-01 4.14 -5.497433291e-01 4.16 -5.381900449e-01 4.18 -5.268499180e-01 4.20 -5.157927939e-01 4.22 -5.050739182e-01 4.24 -4.947359800e-01 4.26 -4.848109330e-01 4.28 -4.754390110e-01 4.30 -4.667031840e-01 4.32 -4.582941946e-01 4.34 -4.499507257e-01 4.36 -4.414652014e-01 4.38 -4.326766513e-01 4.40 -4.234643914e-01 4.42 -4.137424358e-01 4.44 -4.034545625e-01 4.46 -3.925699628e-01 4.48 -3.810794087e-01 4.50 -3.689918810e-01 4.52 -3.563315808e-01 4.54 -3.431350421e-01 4.56 -3.293838016e-01 4.58 -3.151690407e-01 4.60 -3.006848217e-01 4.62 -2.860963800e-01 4.64 -2.715432214e-01 4.66 -2.571418801e-01 4.68 -2.429883398e-01 4.70 -2.291601413e-01 4.72 -2.157182018e-01 4.74 -2.027083641e-01 4.76 -1.901626981e-01 4.78 -1.781005697e-01 4.80 -1.665294945e-01 4.82 -1.554462822e-01 4.84 -1.448428195e-01 4.86 -1.347114062e-01 4.88 -1.250449878e-01 4.90 -1.158369067e-01 4.92 -1.070806724e-01 4.94 -9.876975442e-02 4.96 -9.089740067e-02 4.98 -8.345647958e-02 5.00 -7.643934892e-02 5.02 -6.983775002e-02 5.04 -6.364272756e-02 5.06 -5.784457393e-02 5.08 -5.243279734e-02 5.10 -4.739611232e-02 5.12 -4.272245107e-02 5.14 -3.839899398e-02 5.16 -3.441221752e-02 5.18 -3.074795750e-02 5.20 -2.739148559e-02 5.22 -2.432759713e-02 5.24 -2.154070798e-02 5.26 -1.901495835e-02 5.28 -1.673432138e-02 5.30 -1.468271458e-02 5.32 -1.284411192e-02 5.34 -1.120265480e-02 5.36 -9.742759899e-03 5.38 -8.449222396e-03 5.40 -7.307312752e-03 5.42 -6.302865763e-03 5.44 -5.422360516e-03 5.46 -4.652990134e-03 5.48 -3.982720362e-03 5.50 -3.400336219e-03 5.52 -2.895476144e-03 5.54 -2.458653252e-03 5.56 -2.081263545e-03 5.58 -1.755581106e-03 5.60 -1.474740553e-03 5.62 -1.232707219e-03 5.64 -1.024235788e-03 5.66 -8.448183165e-04 5.68 -6.906228201e-04 5.70 -5.584238277e-04 5.72 -4.455265646e-04 5.74 -3.496866423e-04 5.76 -2.690273905e-04 5.78 -2.019572040e-04 5.80 -1.470895208e-04 5.82 -1.031682960e-04 5.84 -6.900207799e-05 5.86 -4.341004273e-05 5.88 -2.518358683e-05 5.90 -1.306732800e-05 5.92 -5.763608119e-06 5.94 -1.964842181e-06 5.96 -4.183031164e-07 5.98 -2.818071260e-08 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