# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ni # implementation = 2004--Zhou-X-W--Ni--LAMMPS--ipr2 # 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 Ni Ni 0.02 8.137983668e+03 0.04 4.066616355e+03 0.06 2.709493917e+03 0.08 2.030932698e+03 0.10 1.623795967e+03 0.12 1.352371479e+03 0.14 1.158496845e+03 0.16 1.013090870e+03 0.18 8.999973334e+02 0.20 8.095225042e+02 0.22 7.354976440e+02 0.24 6.738102605e+02 0.26 6.216132436e+02 0.28 5.768729435e+02 0.30 5.380980167e+02 0.32 5.041699558e+02 0.34 4.742334314e+02 0.36 4.476231875e+02 0.38 4.238140220e+02 0.40 4.023857729e+02 0.42 3.829983095e+02 0.44 3.653733428e+02 0.46 3.492809819e+02 0.48 3.345296511e+02 0.50 3.207332100e+02 0.52 2.990092636e+02 0.54 2.785133467e+02 0.56 2.593752506e+02 0.58 2.415057971e+02 0.60 2.248216463e+02 0.62 2.092449147e+02 0.64 1.947028181e+02 0.66 1.811273386e+02 0.68 1.684549120e+02 0.70 1.566261377e+02 0.72 1.455855055e+02 0.74 1.352811420e+02 0.76 1.256645722e+02 0.78 1.166904977e+02 0.80 1.083165891e+02 0.82 1.005032913e+02 0.84 9.321364287e+01 0.86 8.641310581e+01 0.88 8.006940740e+01 0.90 7.415239192e+01 0.92 6.863388224e+01 0.94 6.348755033e+01 0.96 5.868879572e+01 0.98 5.421462999e+01 1.00 5.004358664e+01 1.02 4.615560123e+01 1.04 4.253191745e+01 1.06 3.915500287e+01 1.08 3.600847018e+01 1.10 3.307700331e+01 1.12 3.034628834e+01 1.14 2.780312135e+01 1.16 2.543590030e+01 1.18 2.323386270e+01 1.20 2.118680946e+01 1.22 1.928508460e+01 1.24 1.751955484e+01 1.26 1.588158890e+01 1.28 1.436303658e+01 1.30 1.295620804e+01 1.32 1.165385312e+01 1.34 1.044914103e+01 1.36 9.335640420e+00 1.38 8.307299895e+00 1.40 7.358429045e+00 1.42 6.483680068e+00 1.44 5.678029973e+00 1.46 4.936763421e+00 1.48 4.255456206e+00 1.50 3.629959387e+00 1.52 3.056384081e+00 1.54 2.531086912e+00 1.56 2.050656101e+00 1.58 1.611898207e+00 1.60 1.211825485e+00 1.62 8.476438679e-01 1.64 5.167415388e-01 1.66 2.166780816e-01 1.68 -5.482580487e-02 1.70 -2.998980536e-01 1.72 -5.205244567e-01 1.74 -7.185573922e-01 1.76 -8.957240721e-01 1.78 -1.053634332e+00 1.80 -1.193787983e+00 1.82 -1.317581745e+00 1.84 -1.426315782e+00 1.86 -1.521199859e+00 1.88 -1.603359136e+00 1.90 -1.673839626e+00 1.92 -1.733613320e+00 1.94 -1.783583013e+00 1.96 -1.824586832e+00 1.98 -1.857402493e+00 2.00 -1.882751295e+00 2.02 -1.901301869e+00 2.04 -1.913673694e+00 2.06 -1.920440397e+00 2.08 -1.922132840e+00 2.10 -1.919242020e+00 2.12 -1.912221777e+00 2.14 -1.901491341e+00 2.16 -1.887437703e+00 2.18 -1.870417841e+00 2.20 -1.850760806e+00 2.22 -1.828769664e+00 2.24 -1.804723316e+00 2.26 -1.778878202e+00 2.28 -1.751469885e+00 2.30 -1.722714539e+00 2.32 -1.692810336e+00 2.34 -1.661938736e+00 2.36 -1.630265697e+00 2.38 -1.597942802e+00 2.40 -1.565108311e+00 2.42 -1.531888137e+00 2.44 -1.498396765e+00 2.46 -1.464738099e+00 2.48 -1.431006261e+00 2.50 -1.397286322e+00 2.52 -1.363655001e+00 2.54 -1.330181295e+00 2.56 -1.296927083e+00 2.58 -1.263947680e+00 2.60 -1.231292348e+00 2.62 -1.199004785e+00 2.64 -1.167123563e+00 2.66 -1.135682548e+00 2.68 -1.104711284e+00 2.70 -1.074235352e+00 2.72 -1.044276700e+00 2.74 -1.014853956e+00 2.76 -9.859827114e-01 2.78 -9.576757886e-01 2.80 -9.299434870e-01 2.82 -9.027938119e-01 2.84 -8.762326868e-01 2.86 -8.502641496e-01 2.88 -8.248905349e-01 2.90 -8.001126419e-01 2.92 -7.759298908e-01 2.94 -7.523404659e-01 2.96 -7.293414490e-01 2.98 -7.069289415e-01 3.00 -6.850981763e-01 3.02 -6.638436214e-01 3.04 -6.431590733e-01 3.06 -6.230377415e-01 3.08 -6.034723254e-01 3.10 -5.844550808e-01 3.12 -5.659778787e-01 3.14 -5.480322546e-01 3.16 -5.306094471e-01 3.18 -5.137004278e-01 3.20 -4.972959187e-01 3.22 -4.813863991e-01 3.24 -4.659620994e-01 3.26 -4.510129831e-01 3.28 -4.365287163e-01 3.30 -4.224986263e-01 3.32 -4.089116521e-01 3.34 -3.957562902e-01 3.36 -3.830205425e-01 3.38 -3.706918752e-01 3.40 -3.587571973e-01 3.42 -3.472028728e-01 3.44 -3.360147751e-01 3.46 -3.251783958e-01 3.48 -3.146790095e-01 3.50 -3.045018934e-01 3.52 -2.946325894e-01 3.54 -2.850571875e-01 3.56 -2.757626031e-01 3.58 -2.667368170e-01 3.60 -2.579690500e-01 3.62 -2.494498516e-01 3.64 -2.411710942e-01 3.66 -2.331258785e-01 3.68 -2.253083647e-01 3.70 -2.177135556e-01 3.72 -2.103370563e-01 3.74 -2.031748368e-01 3.76 -1.962230151e-01 3.78 -1.894776752e-01 3.80 -1.829347234e-01 3.82 -1.765897844e-01 3.84 -1.704381328e-01 3.86 -1.644746522e-01 3.88 -1.586938169e-01 3.90 -1.530896878e-01 3.92 -1.476559168e-01 3.94 -1.423857556e-01 3.96 -1.372720654e-01 3.98 -1.323073253e-01 4.00 -1.274836391e-01 4.02 -1.227927407e-01 4.04 -1.182259999e-01 4.06 -1.137744300e-01 4.08 -1.094287031e-01 4.10 -1.051791745e-01 4.12 -1.010159251e-01 4.14 -9.692882635e-02 4.16 -9.290763743e-02 4.18 -8.894214150e-02 4.20 -8.502233165e-02 4.22 -8.113865512e-02 4.24 -7.728232122e-02 4.26 -7.344567598e-02 4.28 -6.962263947e-02 4.30 -6.580919250e-02 4.32 -6.200388715e-02 4.34 -5.820834143e-02 4.36 -5.442766415e-02 4.38 -5.067074427e-02 4.40 -4.695026447e-02 4.42 -4.328216266e-02 4.44 -3.968612198e-02 4.46 -3.618430839e-02 4.48 -3.280012192e-02 4.50 -2.955688231e-02 4.52 -2.647644230e-02 4.54 -2.357787696e-02 4.56 -2.087639307e-02 4.58 -1.838257087e-02 4.60 -1.610200014e-02 4.62 -1.403531433e-02 4.64 -1.217857374e-02 4.66 -1.052391177e-02 4.68 -9.060340965e-03 4.70 -7.774617724e-03 4.72 -6.652080591e-03 4.74 -5.677400636e-03 4.76 -4.835207689e-03 4.78 -4.110578322e-03 4.80 -3.489388418e-03 4.82 -2.958544255e-03 4.84 -2.506111854e-03 4.86 -2.121366179e-03 4.88 -1.794780814e-03 4.90 -1.517976234e-03 4.92 -1.283641630e-03 4.94 -1.085441917e-03 4.96 -9.179186307e-04 4.98 -7.763908135e-04 5.00 -6.568599688e-04 5.02 -5.559215843e-04 5.04 -4.706845582e-04 5.06 -3.986990444e-04 5.08 -3.378926810e-04 5.10 -2.865148106e-04 5.12 -2.430880939e-04 5.14 -2.063668205e-04 5.16 -1.753011808e-04 5.18 -1.490067853e-04 5.20 -1.267387504e-04 5.22 -1.078697332e-04 5.24 -9.187135346e-05 5.26 -7.829851271e-05 5.28 -6.677617526e-05 5.30 -5.698823909e-05 5.32 -4.866817333e-05 5.34 -4.159114693e-05 5.36 -3.556741374e-05 5.38 -3.043675479e-05 5.40 -2.606380929e-05 5.42 -2.233415222e-05 5.44 -1.915099862e-05 5.46 -1.643243397e-05 5.48 -1.410908589e-05 5.50 -1.212216621e-05 5.52 -1.042182386e-05 5.54 -8.965758487e-06 5.56 -7.718053540e-06 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