# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Wang-P-Bu-Y-Liu-J-et-al--meta-Ta-Hf-Zr-Ti # implementation = 2020--Wang-P--meta-Ta-Hf-Zr-Ti--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 meta_TaHfZrTi meta_TaHfZrTi 0.02 8.859875445e+03 0.04 8.859875445e+03 0.06 8.859875445e+03 0.08 8.859875445e+03 0.10 8.859875446e+03 0.12 8.859875448e+03 0.14 8.859875452e+03 0.16 8.859875456e+03 0.18 8.859875464e+03 0.20 8.859875474e+03 0.22 8.859875487e+03 0.24 8.859875505e+03 0.26 8.859875528e+03 0.28 8.859875557e+03 0.30 8.859875592e+03 0.32 8.859875636e+03 0.34 8.859875689e+03 0.36 8.859875751e+03 0.38 8.859875825e+03 0.40 8.859875912e+03 0.42 8.859876013e+03 0.44 8.859876129e+03 0.46 8.859876262e+03 0.48 8.859876414e+03 0.50 8.859876586e+03 0.52 8.859876780e+03 0.54 8.859876998e+03 0.56 8.859877241e+03 0.58 8.859877511e+03 0.60 8.859877812e+03 0.62 8.859878143e+03 0.64 8.859878509e+03 0.66 8.859878910e+03 0.68 8.859879350e+03 0.70 8.859879830e+03 0.72 8.859880353e+03 0.74 8.859880921e+03 0.76 8.859881537e+03 0.78 8.859882204e+03 0.80 8.859882924e+03 0.82 8.859883701e+03 0.84 8.859884536e+03 0.86 8.859885433e+03 0.88 8.859886395e+03 0.90 8.859887424e+03 0.92 8.859888525e+03 0.94 8.859889699e+03 0.96 8.859890951e+03 0.98 8.859892284e+03 1.00 8.858076205e+03 1.02 8.454372134e+03 1.04 8.058397285e+03 1.06 7.671969156e+03 1.08 7.295087751e+03 1.10 6.927753073e+03 1.12 6.569965127e+03 1.14 6.221723916e+03 1.16 5.883029444e+03 1.18 5.553881715e+03 1.20 5.234280733e+03 1.22 4.924226503e+03 1.24 4.623719028e+03 1.26 4.332758312e+03 1.28 4.051344360e+03 1.30 3.779477177e+03 1.32 3.517156767e+03 1.34 3.264383133e+03 1.36 3.021156282e+03 1.38 2.787476217e+03 1.40 2.563342942e+03 1.42 2.348756464e+03 1.44 2.143716786e+03 1.46 1.948223914e+03 1.48 1.762277852e+03 1.50 1.585878605e+03 1.52 1.419026179e+03 1.54 1.261720578e+03 1.56 1.113961807e+03 1.58 9.757498724e+02 1.60 8.470847786e+02 1.62 7.279665311e+02 1.64 6.183951352e+02 1.66 5.183705963e+02 1.68 4.278929198e+02 1.70 3.469621113e+02 1.72 2.755781763e+02 1.74 2.137411204e+02 1.76 1.614509493e+02 1.78 1.187076685e+02 1.80 8.551128467e+01 1.82 6.149404887e+01 1.84 4.491660045e+01 1.86 3.394068883e+01 1.88 2.701215336e+01 1.90 2.285044162e+01 1.92 2.043775613e+01 1.94 1.900782837e+01 1.96 1.803432043e+01 1.98 1.721885402e+01 2.00 1.647866722e+01 2.02 1.587420351e+01 2.04 1.536264653e+01 2.06 1.487399286e+01 2.08 1.435507764e+01 2.10 1.376804977e+01 2.12 1.308882104e+01 2.14 1.230548929e+01 2.16 1.141673543e+01 2.18 1.043019432e+01 2.20 9.360799613e+00 2.22 8.229102498e+00 2.24 7.059564287e+00 2.26 5.878822958e+00 2.28 4.713933586e+00 2.30 3.590582682e+00 2.32 2.531276430e+00 2.34 1.553502836e+00 2.36 6.678677737e-01 2.38 -1.237950687e-01 2.40 -8.303403397e-01 2.42 -1.468399669e+00 2.44 -2.044596955e+00 2.46 -2.562092119e+00 2.48 -3.024191993e+00 2.50 -3.434306592e+00 2.52 -3.795908324e+00 2.54 -4.112494122e+00 2.56 -4.387550507e+00 2.58 -4.624521584e+00 2.60 -4.826779970e+00 2.62 -4.997600654e+00 2.64 -5.140137795e+00 2.66 -5.257404441e+00 2.68 -5.352255192e+00 2.70 -5.427371789e+00 2.72 -5.485251634e+00 2.74 -5.528199237e+00 2.76 -5.558320598e+00 2.78 -5.577520508e+00 2.80 -5.587502799e+00 2.82 -5.589773518e+00 2.84 -5.585647025e+00 2.86 -5.576255045e+00 2.88 -5.562558618e+00 2.90 -5.545363010e+00 2.92 -5.525335552e+00 2.94 -5.503026402e+00 2.96 -5.478892240e+00 2.98 -5.453322897e+00 3.00 -5.426670902e+00 3.02 -5.399239591e+00 3.04 -5.371158960e+00 3.06 -5.342494259e+00 3.08 -5.313288339e+00 3.10 -5.283564349e+00 3.12 -5.253328316e+00 3.14 -5.222571585e+00 3.16 -5.191273145e+00 3.18 -5.159401810e+00 3.20 -5.126918285e+00 3.22 -5.093777095e+00 3.24 -5.059928385e+00 3.26 -5.025319609e+00 3.28 -4.989897070e+00 3.30 -4.953607351e+00 3.32 -4.916398604e+00 3.34 -4.878221717e+00 3.36 -4.839031362e+00 3.38 -4.798786908e+00 3.40 -4.757453207e+00 3.42 -4.715001246e+00 3.44 -4.671408672e+00 3.46 -4.626660195e+00 3.48 -4.580747861e+00 3.50 -4.533671196e+00 3.52 -4.485437225e+00 3.54 -4.436060370e+00 3.56 -4.385562210e+00 3.58 -4.333971111e+00 3.60 -4.281321738e+00 3.62 -4.227652362e+00 3.64 -4.173005496e+00 3.66 -4.117445193e+00 3.68 -4.061057270e+00 3.70 -4.003945495e+00 3.72 -3.946227891e+00 3.74 -3.888033159e+00 3.76 -3.829497225e+00 3.78 -3.770759901e+00 3.80 -3.711961663e+00 3.82 -3.653240502e+00 3.84 -3.594728954e+00 3.86 -3.536551205e+00 3.88 -3.478820325e+00 3.90 -3.421635623e+00 3.92 -3.365080126e+00 3.94 -3.309218174e+00 3.96 -3.254093115e+00 3.98 -3.199725119e+00 4.00 -3.146109114e+00 4.02 -3.093212825e+00 4.04 -3.040974939e+00 4.06 -2.989303389e+00 4.08 -2.938073742e+00 4.10 -2.887127709e+00 4.12 -2.836271797e+00 4.14 -2.785276037e+00 4.16 -2.733872857e+00 4.18 -2.681756068e+00 4.20 -2.628579942e+00 4.22 -2.574044394e+00 4.24 -2.518166794e+00 4.26 -2.461049434e+00 4.28 -2.402796723e+00 4.30 -2.343514827e+00 4.32 -2.283311212e+00 4.34 -2.222294293e+00 4.36 -2.160573105e+00 4.38 -2.098257430e+00 4.40 -2.035456982e+00 4.42 -1.972280038e+00 4.44 -1.908834671e+00 4.46 -1.845229750e+00 4.48 -1.781568364e+00 4.50 -1.717955598e+00 4.52 -1.654494541e+00 4.54 -1.591278326e+00 4.56 -1.528414099e+00 4.58 -1.465977470e+00 4.60 -1.404083725e+00 4.62 -1.342780326e+00 4.64 -1.282194231e+00 4.66 -1.222353682e+00 4.68 -1.163316577e+00 4.70 -1.105304870e+00 4.72 -1.046637993e+00 4.74 -9.893207528e-01 4.76 -9.360887654e-01 4.78 -8.895163364e-01 4.80 -8.468134128e-01 4.82 -8.003018185e-01 4.84 -7.459542739e-01 4.86 -6.825680850e-01 4.88 -6.105638639e-01 4.90 -5.346059899e-01 4.92 -4.604378676e-01 4.94 -3.915508932e-01 4.96 -3.298157895e-01 4.98 -2.759927120e-01 5.00 -2.301158534e-01 5.02 -1.917744757e-01 5.04 -1.603109550e-01 5.06 -1.349541439e-01 5.08 -1.149040948e-01 5.10 -9.938188634e-02 5.12 -8.765572181e-02 5.14 -7.905203903e-02 5.16 -7.295846334e-02 5.18 -6.882326123e-02 5.20 -6.615444329e-02 5.22 -6.452030489e-02 5.24 -6.355244285e-02 5.26 -6.295092957e-02 5.28 -6.249180089e-02 5.30 -6.203634679e-02 5.32 -6.153715436e-02 5.34 -6.099754595e-02 5.36 -6.042473163e-02 5.38 -5.982528097e-02 5.40 -5.920501064e-02 5.42 -5.856777762e-02 5.44 -5.791266835e-02 5.46 -5.723822706e-02 5.48 -5.654360750e-02 5.50 -5.582848431e-02 5.52 -5.509296988e-02 5.54 -5.433753698e-02 5.56 -5.356294701e-02 5.58 -5.277018388e-02 5.60 -5.196039361e-02 5.62 -5.113482956e-02 5.64 -5.029480330e-02 5.66 -4.944164116e-02 5.68 -4.857664647e-02 5.70 -4.770106738e-02 5.72 -4.681607043e-02 5.74 -4.592271969e-02 5.76 -4.502196166e-02 5.78 -4.411461572e-02 5.80 -4.320137035e-02 5.82 -4.228278491e-02 5.84 -4.135929713e-02 5.86 -4.043123628e-02 5.88 -3.949884194e-02 5.90 -3.856228848e-02 5.92 -3.762171519e-02 5.94 -3.667726204e-02 5.96 -3.572911111e-02 5.98 -3.477753373e-02 6.00 -3.382294321e-02 6.02 -3.286520026e-02 6.04 -3.190148200e-02 6.06 -3.092868775e-02 6.08 -2.994420734e-02 6.10 -2.894591680e-02 6.12 -2.793217424e-02 6.14 -2.690181582e-02 6.16 -2.585415187e-02 6.18 -2.478896309e-02 6.20 -2.370649695e-02 6.22 -2.260746416e-02 6.24 -2.149303524e-02 6.26 -2.036483729e-02 6.28 -1.922495086e-02 6.30 -1.807590688e-02 6.32 -1.692068379e-02 6.34 -1.576270478e-02 6.36 -1.460583514e-02 6.38 -1.345437973e-02 6.40 -1.231308059e-02 6.42 -1.118711467e-02 6.44 -1.008209169e-02 6.46 -9.004052108e-03 6.48 -7.959465231e-03 6.50 -6.955227438e-03 6.52 -5.998660537e-03 6.54 -5.097510243e-03 6.56 -4.259944779e-03 6.58 -3.494553602e-03 6.60 -2.810346265e-03 6.62 -2.213841506e-03 6.64 -1.700303166e-03 6.66 -1.262410442e-03 6.68 -8.931595561e-04 6.70 -5.858639994e-04 6.72 -3.341547630e-04 6.74 -1.319805653e-04 6.76 2.639193375e-05 6.78 1.463779281e-04 6.80 2.330742717e-04 6.82 2.912592945e-04 6.84 3.253926288e-04 6.86 3.396150464e-04 6.88 3.377483053e-04 6.90 3.232950070e-04 6.92 2.994384645e-04 6.94 2.690425802e-04 6.96 2.346517338e-04 6.98 1.984906813e-04 7.00 1.624644635e-04 7.02 1.281583254e-04 7.04 9.683764557e-05 7.06 6.944787576e-05 7.08 4.661449123e-05 7.10 2.864295086e-05 7.12 1.551866795e-05 7.14 6.906991048e-06 7.16 2.153195287e-06 7.18 2.824838840e-07 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