# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Marinica-M-C-Ventelon-L-Gilbert-M-R-et-al--W-2 # implementation = 2013--Marinica-M-C--W-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 W W 0.02 3.004747601e+06 0.04 1.194650766e+06 0.06 6.511039582e+05 0.08 4.065089161e+05 0.10 2.740801763e+05 0.12 1.942410159e+05 0.14 1.426111226e+05 0.16 1.075384920e+05 0.18 8.282579159e+04 0.20 6.491031555e+04 0.22 5.162051061e+04 0.24 4.157148963e+04 0.26 3.384779707e+04 0.28 2.782640621e+04 0.30 2.307292855e+04 0.32 1.927822181e+04 0.34 1.621834102e+04 0.36 1.372850848e+04 0.38 1.168578211e+04 0.40 9.997273195e+03 0.42 8.591989987e+03 0.44 7.415100303e+03 0.46 6.423837473e+03 0.48 5.584541013e+03 0.50 4.870492123e+03 0.52 4.260313307e+03 0.54 3.736773116e+03 0.56 3.285885042e+03 0.58 2.896222141e+03 0.60 2.558391385e+03 0.62 2.264627303e+03 0.64 2.008475477e+03 0.66 1.784544238e+03 0.68 1.588308532e+03 0.70 1.415953971e+03 0.72 1.264252059e+03 0.74 1.130459750e+03 0.76 1.012238144e+03 0.78 9.075862965e+02 0.80 8.147870624e+02 0.82 7.323625551e+02 0.84 6.590373487e+02 0.86 5.937079349e+02 0.88 5.354172653e+02 0.90 4.833334463e+02 0.92 4.367318408e+02 0.94 3.949799782e+02 0.96 3.575247890e+02 0.98 3.238817697e+02 1.00 2.936269911e+02 1.02 2.663262459e+02 1.04 2.416199562e+02 1.06 2.192510874e+02 1.08 1.989886892e+02 1.10 1.806253540e+02 1.12 1.639747627e+02 1.14 1.488694902e+02 1.16 1.351590431e+02 1.18 1.227081044e+02 1.20 1.113949639e+02 1.22 1.011101137e+02 1.24 9.175499104e+01 1.26 8.324085403e+01 1.28 7.548777462e+01 1.30 6.842373731e+01 1.32 6.198383195e+01 1.34 5.610953077e+01 1.36 5.074804074e+01 1.38 4.585172317e+01 1.40 4.137757353e+01 1.42 3.728675512e+01 1.44 3.354418089e+01 1.46 3.011813832e+01 1.48 2.697995291e+01 1.50 2.410368618e+01 1.52 2.146586451e+01 1.54 1.904523573e+01 1.56 1.682255047e+01 1.58 1.478036563e+01 1.60 1.290286790e+01 1.62 1.117571495e+01 1.64 9.585892720e+00 1.66 8.121586983e+00 1.68 6.772067791e+00 1.70 5.527585449e+00 1.72 4.379276843e+00 1.74 3.319081063e+00 1.76 2.339663373e+00 1.78 1.434346676e+00 1.80 5.970497145e-01 1.82 -1.777686706e-01 1.84 -8.951598413e-01 1.86 -1.559730767e+00 1.88 -2.175685021e+00 1.90 -2.746859820e+00 1.92 -3.276759485e+00 1.94 -3.768585693e+00 1.96 -4.225264832e+00 1.98 -4.649472742e+00 2.00 -5.043657107e+00 2.02 -5.403549765e+00 2.04 -5.720491855e+00 2.06 -5.998647622e+00 2.08 -6.249697691e+00 2.10 -6.476343662e+00 2.12 -6.679610418e+00 2.14 -6.860498026e+00 2.16 -7.019987532e+00 2.18 -7.159046389e+00 2.20 -7.278633674e+00 2.22 -7.379705201e+00 2.24 -7.463218659e+00 2.26 -7.530138867e+00 2.28 -7.581443231e+00 2.30 -7.618127506e+00 2.32 -7.641211933e+00 2.34 -7.651747826e+00 2.36 -7.650824657e+00 2.38 -7.639577712e+00 2.40 -7.619196305e+00 2.42 -7.590932556e+00 2.44 -7.556110661e+00 2.46 -7.516136518e+00 2.48 -7.472507467e+00 2.50 -7.426821800e+00 2.52 -7.380528983e+00 2.54 -7.334120632e+00 2.56 -7.287837923e+00 2.58 -7.241588744e+00 2.60 -7.192446117e+00 2.62 -7.136041877e+00 2.64 -7.068188566e+00 2.66 -6.988992033e+00 2.68 -6.902737376e+00 2.70 -6.813863052e+00 2.72 -6.725340043e+00 2.74 -6.637411794e+00 2.76 -6.550016816e+00 2.78 -6.463084725e+00 2.80 -6.376535472e+00 2.82 -6.290278563e+00 2.84 -6.204212278e+00 2.86 -6.118222902e+00 2.88 -6.032204403e+00 2.90 -5.946260505e+00 2.92 -5.860618142e+00 2.94 -5.775491263e+00 2.96 -5.691078111e+00 2.98 -5.607557988e+00 3.00 -5.524956812e+00 3.02 -5.443079410e+00 3.04 -5.361695412e+00 3.06 -5.280555020e+00 3.08 -5.199388119e+00 3.10 -5.117915907e+00 3.12 -5.035941624e+00 3.14 -4.953487103e+00 3.16 -4.870627015e+00 3.18 -4.787435022e+00 3.20 -4.703983701e+00 3.22 -4.620344443e+00 3.24 -4.536587360e+00 3.26 -4.452781176e+00 3.28 -4.368993111e+00 3.30 -4.285288759e+00 3.32 -4.201731953e+00 3.34 -4.118384620e+00 3.36 -4.035306623e+00 3.38 -3.952555594e+00 3.40 -3.870186739e+00 3.42 -3.788252645e+00 3.44 -3.706803048e+00 3.46 -3.625884589e+00 3.48 -3.545540546e+00 3.50 -3.465810529e+00 3.52 -3.386738996e+00 3.54 -3.308387152e+00 3.56 -3.230786478e+00 3.58 -3.153962962e+00 3.60 -3.077942703e+00 3.62 -3.002751906e+00 3.64 -2.928416894e+00 3.66 -2.854964109e+00 3.68 -2.782420111e+00 3.70 -2.710811591e+00 3.72 -2.640165369e+00 3.74 -2.570508399e+00 3.76 -2.501867778e+00 3.78 -2.434270748e+00 3.80 -2.367744705e+00 3.82 -2.302317200e+00 3.84 -2.238015951e+00 3.86 -2.174864784e+00 3.88 -2.112842340e+00 3.90 -2.051899031e+00 3.92 -1.991985030e+00 3.94 -1.933050715e+00 3.96 -1.875046679e+00 3.98 -1.817923741e+00 4.00 -1.761632959e+00 4.02 -1.706125641e+00 4.04 -1.651353359e+00 4.06 -1.597267964e+00 4.08 -1.543821601e+00 4.10 -1.490966729e+00 4.12 -1.438656135e+00 4.14 -1.386842959e+00 4.16 -1.335480717e+00 4.18 -1.284523385e+00 4.20 -1.233943711e+00 4.22 -1.183758302e+00 4.24 -1.133990530e+00 4.26 -1.084664292e+00 4.28 -1.035804050e+00 4.30 -9.874348767e-01 4.32 -9.395825003e-01 4.34 -8.922733694e-01 4.36 -8.455347104e-01 4.38 -7.993945942e-01 4.40 -7.538820339e-01 4.42 -7.090270514e-01 4.44 -6.648607981e-01 4.46 -6.214157062e-01 4.48 -5.787255208e-01 4.50 -5.368256157e-01 4.52 -4.957531044e-01 4.54 -4.555471135e-01 4.56 -4.162485311e-01 4.58 -3.779022621e-01 4.60 -3.405537471e-01 4.62 -3.042527636e-01 4.64 -2.690513294e-01 4.66 -2.349483863e-01 4.68 -2.016054491e-01 4.70 -1.740778999e-01 4.72 -1.448824977e-01 4.74 -1.054759418e-01 4.76 -6.258368001e-02 4.78 -2.655837707e-02 4.80 -1.780506353e-04 4.82 1.736107529e-02 4.84 2.790982412e-02 4.86 3.335755685e-02 4.88 3.538845597e-02 4.90 3.553376038e-02 4.92 3.504540603e-02 4.94 3.421357041e-02 4.96 3.308208654e-02 4.98 3.169478746e-02 5.00 3.009550618e-02 5.02 2.832807573e-02 5.04 2.643632912e-02 5.06 2.446409938e-02 5.08 2.245521952e-02 5.10 2.045277370e-02 5.12 1.848357350e-02 5.14 1.655866977e-02 5.16 1.468846691e-02 5.18 1.288336927e-02 5.20 1.115378123e-02 5.22 9.510107164e-03 5.24 7.962751446e-03 5.26 6.522118449e-03 5.28 5.198612546e-03 5.30 4.002638109e-03 5.32 2.944599513e-03 5.34 2.034901130e-03 5.36 1.284098216e-03 5.38 7.036910683e-04 5.40 3.055451023e-04 5.42 9.152084851e-05 5.44 1.181545509e-05 5.46 1.159047718e-10 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