# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Hiremath-P-Melin-S-Bitzek-E-Olsson-P-A-T--W # implementation = 2022--Hiremath-P--W--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 2025-07-01 r W W 0.02 3.095350220e+06 0.04 1.244899093e+06 0.06 6.885016635e+05 0.08 4.356033227e+05 0.10 2.974336508e+05 0.12 2.133812048e+05 0.14 1.585231453e+05 0.16 1.209038427e+05 0.18 9.414210787e+04 0.20 7.455600330e+04 0.22 5.989114061e+04 0.24 4.870202717e+04 0.26 4.002729853e+04 0.28 3.320821808e+04 0.30 2.778220037e+04 0.32 2.341761523e+04 0.34 1.987244047e+04 0.36 1.696730588e+04 0.38 1.456744021e+04 0.40 1.257032978e+04 0.42 1.089713090e+04 0.44 9.486582295e+03 0.46 8.290636407e+03 0.48 7.271281399e+03 0.50 6.398198541e+03 0.52 5.647021552e+03 0.54 4.998027757e+03 0.56 4.435144946e+03 0.58 3.945193007e+03 0.60 3.517298458e+03 0.62 3.142439919e+03 0.64 2.813092926e+03 0.66 2.522949694e+03 0.68 2.266697324e+03 0.70 2.039840902e+03 0.72 1.838561378e+03 0.74 1.659601128e+03 0.76 1.500170998e+03 0.78 1.357874472e+03 0.80 1.230645633e+03 0.82 1.116697956e+03 0.84 1.014481982e+03 0.86 9.226501696e+02 0.88 8.400274906e+02 0.90 7.655868420e+02 0.92 6.984283427e+02 0.94 6.377618268e+02 0.96 5.828920422e+02 0.98 5.332060394e+02 1.00 4.881624127e+02 1.02 4.472821117e+02 1.04 4.101405322e+02 1.06 3.763607226e+02 1.08 3.456075235e+02 1.10 3.175824859e+02 1.12 2.920194773e+02 1.14 2.686808580e+02 1.16 2.473541473e+02 1.18 2.278491228e+02 1.20 2.099952763e+02 1.22 1.936395878e+02 1.24 1.786445759e+02 1.26 1.648870607e+02 1.28 1.518682292e+02 1.30 1.385265210e+02 1.32 1.252338675e+02 1.34 1.123327897e+02 1.36 1.000542032e+02 1.38 8.854429449e+01 1.40 7.788568058e+01 1.42 6.811399677e+01 1.44 5.923080599e+01 1.46 5.121358769e+01 1.48 4.402342056e+01 1.50 3.761082724e+01 1.52 3.192017806e+01 1.54 2.689296329e+01 1.56 2.247017980e+01 1.58 1.859403185e+01 1.60 1.520910257e+01 1.62 1.226312159e+01 1.64 9.707425721e+00 1.66 7.497191797e+00 1.68 5.591502000e+00 1.70 3.953287413e+00 1.72 2.549188816e+00 1.74 1.349360842e+00 1.76 3.272410470e-01 1.78 -5.406986659e-01 1.80 -1.275208498e+00 1.82 -1.894515134e+00 1.84 -2.414567911e+00 1.86 -2.849273909e+00 1.88 -3.210717922e+00 1.90 -3.509366509e+00 1.92 -3.754255745e+00 1.94 -3.953161761e+00 1.96 -4.112755278e+00 1.98 -4.238740525e+00 2.00 -4.335979168e+00 2.02 -4.408600822e+00 2.04 -4.460100772e+00 2.06 -4.493426095e+00 2.08 -4.511051495e+00 2.10 -4.515045554e+00 2.12 -4.507128631e+00 2.14 -4.488723316e+00 2.16 -4.460998198e+00 2.18 -4.424905901e+00 2.20 -4.381216079e+00 2.22 -4.330544015e+00 2.24 -4.273375564e+00 2.26 -4.210089443e+00 2.28 -4.140992959e+00 2.30 -4.066368644e+00 2.32 -3.986486827e+00 2.34 -3.901610057e+00 2.36 -3.811998208e+00 2.38 -3.717914385e+00 2.40 -3.619631702e+00 2.42 -3.517440960e+00 2.44 -3.411659187e+00 2.46 -3.302638907e+00 2.48 -3.190777849e+00 2.50 -3.076528665e+00 2.52 -2.960407962e+00 2.54 -2.843003737e+00 2.56 -2.724980059e+00 2.58 -2.607077627e+00 2.60 -2.490108757e+00 2.62 -2.374945447e+00 2.64 -2.262499511e+00 2.66 -2.153694452e+00 2.68 -2.049429723e+00 2.70 -1.950539218e+00 2.72 -1.857747146e+00 2.74 -1.771625501e+00 2.76 -1.692557937e+00 2.78 -1.620714807e+00 2.80 -1.556043104e+00 2.82 -1.498273411e+00 2.84 -1.446943738e+00 2.86 -1.401437840e+00 2.88 -1.361033691e+00 2.90 -1.324956540e+00 2.92 -1.292430658e+00 2.94 -1.262724372e+00 2.96 -1.235184551e+00 2.98 -1.209258475e+00 3.00 -1.184502756e+00 3.02 -1.160580825e+00 3.04 -1.137251739e+00 3.06 -1.114353737e+00 3.08 -1.091785891e+00 3.10 -1.069490633e+00 3.12 -1.047438973e+00 3.14 -1.025619229e+00 3.16 -1.004029235e+00 3.18 -9.826714526e-01 3.20 -9.615501993e-01 3.22 -9.406702383e-01 3.24 -9.200361429e-01 3.26 -8.996520546e-01 3.28 -8.795216161e-01 3.30 -8.596479724e-01 3.32 -8.400337951e-01 3.34 -8.206813121e-01 3.36 -8.015923377e-01 3.38 -7.827683019e-01 3.40 -7.642102787e-01 3.42 -7.459190124e-01 3.44 -7.278949431e-01 3.46 -7.101382310e-01 3.48 -6.926487791e-01 3.50 -6.754262547e-01 3.52 -6.584701100e-01 3.54 -6.417796010e-01 3.56 -6.253538061e-01 3.58 -6.091916428e-01 3.60 -5.932918838e-01 3.62 -5.776531717e-01 3.64 -5.622740334e-01 3.66 -5.471528925e-01 3.68 -5.322880822e-01 3.70 -5.176778559e-01 3.72 -5.033203978e-01 3.74 -4.892138326e-01 3.76 -4.753562346e-01 3.78 -4.617456351e-01 3.80 -4.483800309e-01 3.82 -4.352573900e-01 3.84 -4.223756589e-01 3.86 -4.097327674e-01 3.88 -3.973266337e-01 3.90 -3.851551697e-01 3.92 -3.732162840e-01 3.94 -3.615078863e-01 3.96 -3.500278900e-01 3.98 -3.387742154e-01 4.00 -3.277447916e-01 4.02 -3.169375589e-01 4.04 -3.063504701e-01 4.06 -2.959814922e-01 4.08 -2.858286073e-01 4.10 -2.758898134e-01 4.12 -2.661631249e-01 4.14 -2.566465733e-01 4.16 -2.473382068e-01 4.18 -2.382360906e-01 4.20 -2.293383066e-01 4.22 -2.206429530e-01 4.24 -2.121481439e-01 4.26 -2.038520085e-01 4.28 -1.957526902e-01 4.30 -1.878483464e-01 4.32 -1.801371466e-01 4.34 -1.726172725e-01 4.36 -1.652869159e-01 4.38 -1.581442783e-01 4.40 -1.511875695e-01 4.42 -1.444150063e-01 4.44 -1.378248117e-01 4.46 -1.314152131e-01 4.48 -1.251844417e-01 4.50 -1.191307306e-01 4.52 -1.132523144e-01 4.54 -1.075474273e-01 4.56 -1.020143022e-01 4.58 -9.665116976e-02 4.60 -9.145625688e-02 4.62 -8.642778591e-02 4.64 -8.156397353e-02 4.66 -7.686302971e-02 4.68 -7.232315681e-02 4.70 -6.794254867e-02 4.72 -6.371938975e-02 4.74 -5.965185435e-02 4.76 -5.573810585e-02 4.78 -5.197629607e-02 4.80 -4.836456461e-02 4.82 -4.490103832e-02 4.84 -4.158383080e-02 4.86 -3.841104196e-02 4.88 -3.538075765e-02 4.90 -3.249104936e-02 4.92 -2.973997395e-02 4.94 -2.712557351e-02 4.96 -2.464587522e-02 4.98 -2.229889127e-02 5.00 -2.008261890e-02 5.02 -1.799504046e-02 5.04 -1.603412349e-02 5.06 -1.419782096e-02 5.08 -1.248407146e-02 5.10 -1.089079953e-02 5.12 -9.415915978e-03 5.14 -8.057318279e-03 5.16 -6.812891042e-03 5.18 -5.680506494e-03 5.20 -4.658025025e-03 5.22 -3.743295776e-03 5.24 -2.934157271e-03 5.26 -2.228438084e-03 5.28 -1.623957554e-03 5.30 -1.118526527e-03 5.32 -7.099481357e-04 5.34 -3.960186158e-04 5.36 -1.745281433e-04 5.38 -4.326170640e-05 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