# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoTi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-12-17 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 1.495064961e+03 0.98 1.340982494e+03 1.00 1.203081365e+03 1.02 1.079595127e+03 1.04 9.693353070e+02 1.06 8.707088806e+02 1.08 7.821769917e+02 1.10 7.027000612e+02 1.12 6.311452431e+02 1.14 5.668634216e+02 1.16 5.093639344e+02 1.18 4.579686166e+02 1.20 4.117346304e+02 1.22 3.702078345e+02 1.24 3.327998832e+02 1.26 2.990481677e+02 1.28 2.686840041e+02 1.30 2.413948486e+02 1.32 2.167102989e+02 1.34 1.944010106e+02 1.36 1.742636736e+02 1.38 1.562868206e+02 1.40 1.402688718e+02 1.42 1.259032863e+02 1.44 1.130236684e+02 1.46 1.014601020e+02 1.48 9.102056598e+01 1.50 8.158156248e+01 1.52 7.307507174e+01 1.54 6.542734569e+01 1.56 5.856504488e+01 1.58 5.247242102e+01 1.60 4.708182129e+01 1.62 4.223818553e+01 1.64 3.781611827e+01 1.66 3.380743473e+01 1.68 3.019035241e+01 1.70 2.688472259e+01 1.72 2.386135441e+01 1.74 2.113463619e+01 1.76 1.874071825e+01 1.78 1.662164427e+01 1.80 1.474131839e+01 1.82 1.307371669e+01 1.84 1.160270221e+01 1.86 1.028096527e+01 1.88 8.787896556e+00 1.90 7.556801313e+00 1.92 6.492841935e+00 1.94 5.523647308e+00 1.96 4.626009167e+00 1.98 3.809246993e+00 2.00 3.087498898e+00 2.02 2.463187918e+00 2.04 1.920755604e+00 2.06 1.422029274e+00 2.08 6.062770103e-01 2.10 -1.573539239e-01 2.12 -8.386053556e-01 2.14 -1.441358148e+00 2.16 -1.964536340e+00 2.18 -2.411247674e+00 2.20 -2.795800317e+00 2.22 -3.141538757e+00 2.24 -3.393717731e+00 2.26 -3.579087486e+00 2.28 -3.713782934e+00 2.30 -3.827589660e+00 2.32 -3.948463203e+00 2.34 -4.083817310e+00 2.36 -4.228861248e+00 2.38 -4.378270219e+00 2.40 -4.533142302e+00 2.42 -4.665548429e+00 2.44 -4.760831687e+00 2.46 -4.838451735e+00 2.48 -4.900760786e+00 2.50 -4.951303578e+00 2.52 -4.993884510e+00 2.54 -5.027674668e+00 2.56 -5.056192609e+00 2.58 -5.082115088e+00 2.60 -5.106618811e+00 2.62 -5.129462661e+00 2.64 -5.148484602e+00 2.66 -5.164223302e+00 2.68 -5.178424568e+00 2.70 -5.189353860e+00 2.72 -5.191761529e+00 2.74 -5.185670077e+00 2.76 -5.171265335e+00 2.78 -5.146681534e+00 2.80 -5.108939901e+00 2.82 -5.055627421e+00 2.84 -4.985517175e+00 2.86 -4.903471745e+00 2.88 -4.820397409e+00 2.90 -4.749300867e+00 2.92 -4.681474993e+00 2.94 -4.605517833e+00 2.96 -4.530692929e+00 2.98 -4.463367751e+00 3.00 -4.400451503e+00 3.02 -4.338070573e+00 3.04 -4.273990346e+00 3.06 -4.208859715e+00 3.08 -4.146345157e+00 3.10 -4.091372173e+00 3.12 -4.041334701e+00 3.14 -3.986828109e+00 3.16 -3.921325497e+00 3.18 -3.838373805e+00 3.20 -3.745583012e+00 3.22 -3.659722664e+00 3.24 -3.602878597e+00 3.26 -3.562414274e+00 3.28 -3.521855893e+00 3.30 -3.477562237e+00 3.32 -3.424749506e+00 3.34 -3.359451481e+00 3.36 -3.280363317e+00 3.38 -3.188916318e+00 3.40 -3.087878032e+00 3.42 -2.977709659e+00 3.44 -2.858532904e+00 3.46 -2.733467509e+00 3.48 -2.607432491e+00 3.50 -2.482814504e+00 3.52 -2.360012924e+00 3.54 -2.238324839e+00 3.56 -2.117026870e+00 3.58 -1.999125778e+00 3.60 -1.890058971e+00 3.62 -1.793417896e+00 3.64 -1.711538026e+00 3.66 -1.644390089e+00 3.68 -1.586923603e+00 3.70 -1.532540355e+00 3.72 -1.474568131e+00 3.74 -1.412738798e+00 3.76 -1.357397822e+00 3.78 -1.320794212e+00 3.80 -1.314242974e+00 3.82 -1.320642792e+00 3.84 -1.328684456e+00 3.86 -1.336701082e+00 3.88 -1.343185833e+00 3.90 -1.346889796e+00 3.92 -1.346753510e+00 3.94 -1.342327630e+00 3.96 -1.334215871e+00 3.98 -1.323037184e+00 4.00 -1.309562128e+00 4.02 -1.294890236e+00 4.04 -1.280183068e+00 4.06 -1.266609541e+00 4.08 -1.254621010e+00 4.10 -1.243937680e+00 4.12 -1.233873646e+00 4.14 -1.223368292e+00 4.16 -1.211310556e+00 4.18 -1.196552249e+00 4.20 -1.178010436e+00 4.22 -1.155470620e+00 4.24 -1.129476471e+00 4.26 -1.100799275e+00 4.28 -1.070269713e+00 4.30 -1.038823241e+00 4.32 -1.007483509e+00 4.34 -9.771421976e-01 4.36 -9.482307306e-01 4.38 -9.210848039e-01 4.40 -8.960223017e-01 4.42 -8.733447403e-01 4.44 -8.533368079e-01 4.46 -8.360255078e-01 4.48 -8.207315966e-01 4.50 -8.066110649e-01 4.52 -7.928010152e-01 4.54 -7.784259753e-01 4.56 -7.626013776e-01 4.58 -7.445521600e-01 4.60 -7.237361306e-01 4.62 -7.002115063e-01 4.64 -6.744421842e-01 4.66 -6.469098897e-01 4.68 -6.181137060e-01 4.70 -5.887429491e-01 4.72 -5.596732138e-01 4.74 -5.317009076e-01 4.76 -5.051885149e-01 4.78 -4.803630512e-01 4.80 -4.574307177e-01 4.82 -4.364171960e-01 4.84 -4.172421082e-01 4.86 -3.998219911e-01 4.88 -3.839349200e-01 4.90 -3.690714055e-01 4.92 -3.547410325e-01 4.94 -3.407666740e-01 4.96 -3.270821545e-01 4.98 -3.136213159e-01 5.00 -3.003353169e-01 5.02 -2.875418791e-01 5.04 -2.758558167e-01 5.06 -2.657275869e-01 5.08 -2.575726743e-01 5.10 -2.518076209e-01 5.12 -2.488505849e-01 5.14 -2.490811356e-01 5.16 -2.522264098e-01 5.18 -2.571669283e-01 5.20 -2.626997552e-01 5.22 -2.676190357e-01 5.24 -2.707191407e-01 5.26 -2.708367345e-01 5.28 -2.679238540e-01 5.30 -2.630419084e-01 5.32 -2.572767636e-01 5.34 -2.517142908e-01 5.36 -2.474404351e-01 5.38 -2.444618883e-01 5.40 -2.392542128e-01 5.42 -2.314351432e-01 5.44 -2.215427568e-01 5.46 -2.101578964e-01 5.48 -1.978614035e-01 5.50 -1.852343912e-01 5.52 -1.728581914e-01 5.54 -1.612966895e-01 5.56 -1.509110777e-01 5.58 -1.419335864e-01 5.60 -1.345932374e-01 5.62 -1.291196051e-01 5.64 -1.257434115e-01 5.66 -1.246872404e-01 5.68 -1.260248534e-01 5.70 -1.292504257e-01 5.72 -1.337210684e-01 5.74 -1.387898546e-01 5.76 -1.437929266e-01 5.78 -1.480423247e-01 5.80 -1.508285163e-01 5.82 -1.518081051e-01 5.84 -1.513780317e-01 5.86 -1.500347630e-01 5.88 -1.483000053e-01 5.90 -1.467262075e-01 5.92 -1.458931811e-01 5.94 -1.463481674e-01 5.96 -1.477419979e-01 5.98 -1.488636631e-01 6.00 -1.484184012e-01