# 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 = Mo2W # 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 3.345412071e+02 0.98 3.100835691e+02 1.00 2.870174211e+02 1.02 2.659761119e+02 1.04 2.464833670e+02 1.06 2.276197511e+02 1.08 2.112262831e+02 1.10 1.969571634e+02 1.12 1.843191135e+02 1.14 1.733435242e+02 1.16 1.632492372e+02 1.18 1.535487179e+02 1.20 1.441325893e+02 1.22 1.354810792e+02 1.24 1.277248091e+02 1.26 1.205571453e+02 1.28 1.138823128e+02 1.30 1.077183217e+02 1.32 1.021724641e+02 1.34 9.706220491e+01 1.36 9.206235015e+01 1.38 8.739419541e+01 1.40 8.307335461e+01 1.42 7.890504050e+01 1.44 7.477715377e+01 1.46 7.065039778e+01 1.48 6.674591711e+01 1.50 6.314903932e+01 1.52 5.965823797e+01 1.54 5.629827084e+01 1.56 5.319113402e+01 1.58 5.021262620e+01 1.60 4.739394664e+01 1.62 4.463280177e+01 1.64 4.195338126e+01 1.66 3.940910082e+01 1.68 3.702930597e+01 1.70 3.477595908e+01 1.72 3.260867446e+01 1.74 3.049400832e+01 1.76 2.841383740e+01 1.78 2.641666674e+01 1.80 2.455804620e+01 1.82 2.280372339e+01 1.84 2.113977096e+01 1.86 1.954334798e+01 1.88 1.799702983e+01 1.90 1.649842137e+01 1.92 1.502256385e+01 1.94 1.353986355e+01 1.96 1.204990397e+01 1.98 1.058981170e+01 2.00 9.165102835e+00 2.02 7.803112568e+00 2.04 6.598729304e+00 2.06 5.541412542e+00 2.08 4.605555978e+00 2.10 3.798318231e+00 2.12 3.106895999e+00 2.14 2.492138150e+00 2.16 1.925421934e+00 2.18 1.213948661e+00 2.20 2.754089655e-01 2.22 -4.760816450e-01 2.24 -1.169830576e+00 2.26 -1.793475346e+00 2.28 -2.329763613e+00 2.30 -2.787354665e+00 2.32 -3.205968720e+00 2.34 -3.617043938e+00 2.36 -4.017870562e+00 2.38 -4.400644423e+00 2.40 -4.796324185e+00 2.42 -5.151262925e+00 2.44 -5.397835103e+00 2.46 -5.594312368e+00 2.48 -5.766615134e+00 2.50 -5.916452716e+00 2.52 -6.038105327e+00 2.54 -6.139881748e+00 2.56 -6.265241704e+00 2.58 -6.373740393e+00 2.60 -6.458402914e+00 2.62 -6.500565880e+00 2.64 -6.505225995e+00 2.66 -6.493606238e+00 2.68 -6.484941748e+00 2.70 -6.483487253e+00 2.72 -6.472196037e+00 2.74 -6.448589027e+00 2.76 -6.412978755e+00 2.78 -6.364009966e+00 2.80 -6.298399127e+00 2.82 -6.213250459e+00 2.84 -6.109825002e+00 2.86 -5.996092958e+00 2.88 -5.876156365e+00 2.90 -5.754100527e+00 2.92 -5.622528695e+00 2.94 -5.469885781e+00 2.96 -5.298939293e+00 2.98 -5.125961488e+00 3.00 -4.965498039e+00 3.02 -4.827386408e+00 3.04 -4.722340056e+00 3.06 -4.643848670e+00 3.08 -4.574058160e+00 3.10 -4.491534488e+00 3.12 -4.375641760e+00 3.14 -4.227878981e+00 3.16 -4.074772175e+00 3.18 -3.942576921e+00 3.20 -3.843158420e+00 3.22 -3.779501941e+00 3.24 -3.754649688e+00 3.26 -3.742625941e+00 3.28 -3.722890110e+00 3.30 -3.689325228e+00 3.32 -3.640878029e+00 3.34 -3.582669209e+00 3.36 -3.522033934e+00 3.38 -3.466409683e+00 3.40 -3.423103623e+00 3.42 -3.394690379e+00 3.44 -3.379084778e+00 3.46 -3.373744418e+00 3.48 -3.375651917e+00 3.50 -3.381331270e+00 3.52 -3.388777812e+00 3.54 -3.398563298e+00 3.56 -3.413293967e+00 3.58 -3.432118980e+00 3.60 -3.448857670e+00 3.62 -3.456940054e+00 3.64 -3.449934932e+00 3.66 -3.424365790e+00 3.68 -3.379493067e+00 3.70 -3.312619035e+00 3.72 -3.221324966e+00 3.74 -3.106674232e+00 3.76 -2.974033602e+00 3.78 -2.829333681e+00 3.80 -2.678900479e+00 3.82 -2.504345579e+00 3.84 -2.302181716e+00 3.86 -2.085936752e+00 3.88 -1.873605600e+00 3.90 -1.676508032e+00 3.92 -1.499432073e+00 3.94 -1.345451811e+00 3.96 -1.210685510e+00 3.98 -1.091472169e+00 4.00 -9.867482736e-01 4.02 -8.962825814e-01 4.04 -8.184583364e-01 4.06 -7.508083457e-01 4.08 -6.921227092e-01 4.10 -6.427789825e-01 4.12 -6.028075358e-01 4.14 -5.720057652e-01 4.16 -5.502384513e-01 4.18 -5.374174616e-01 4.20 -5.334598322e-01 4.22 -5.382164971e-01 4.24 -5.509526490e-01 4.26 -5.705716110e-01 4.28 -5.959575744e-01 4.30 -6.259816113e-01 4.32 -6.595218964e-01 4.34 -6.954483665e-01 4.36 -7.327020527e-01 4.38 -7.702451857e-01 4.40 -8.070390050e-01 4.42 -8.420381919e-01 4.44 -8.741921896e-01 4.46 -9.023588890e-01 4.48 -9.259652115e-01 4.50 -9.459828616e-01 4.52 -9.635576391e-01 4.54 -9.798018557e-01 4.56 -9.957764434e-01 4.58 -1.012256593e+00 4.60 -1.029555508e+00 4.62 -1.047180648e+00 4.64 -1.063963364e+00 4.66 -1.078826689e+00 4.68 -1.090750860e+00 4.70 -1.099079724e+00 4.72 -1.102838704e+00 4.74 -1.100315306e+00 4.76 -1.092116248e+00 4.78 -1.080397317e+00 4.80 -1.067811951e+00 4.82 -1.057347979e+00 4.84 -1.051955331e+00 4.86 -1.054184715e+00 4.88 -1.065208378e+00 4.90 -1.083555094e+00 4.92 -1.107244454e+00 4.94 -1.133251306e+00 4.96 -1.158420646e+00 4.98 -1.179804901e+00 5.00 -1.194487703e+00 5.02 -1.200449552e+00 5.04 -1.197489040e+00 5.06 -1.187178493e+00 5.08 -1.171424272e+00 5.10 -1.152134697e+00 5.12 -1.131222335e+00 5.14 -1.110577899e+00 5.16 -1.090996851e+00 5.18 -1.071541439e+00 5.20 -1.051113545e+00 5.22 -1.028633452e+00 5.24 -1.003050734e+00 5.26 -9.733925961e-01 5.28 -9.406202538e-01 5.30 -9.074373266e-01 5.32 -8.764730753e-01 5.34 -8.503318079e-01 5.36 -8.316168434e-01 5.38 -8.199216698e-01 5.40 -8.053824455e-01 5.42 -7.868514660e-01 5.44 -7.651583098e-01 5.46 -7.412595542e-01 5.48 -7.161250947e-01 5.50 -6.907465341e-01 5.52 -6.661285205e-01 5.54 -6.432668353e-01 5.56 -6.226541728e-01 5.58 -6.040825182e-01 5.60 -5.871894614e-01 5.62 -5.717024083e-01 5.64 -5.574727300e-01 5.66 -5.443392015e-01 5.68 -5.320292436e-01 5.70 -5.207546561e-01 5.72 -5.113573471e-01 5.74 -5.043961724e-01 5.76 -5.000394325e-01 5.78 -4.983537417e-01 5.80 -4.994368252e-01 5.82 -5.032084468e-01 5.84 -5.085428629e-01 5.86 -5.140687270e-01 5.88 -5.184472432e-01 5.90 -5.203529325e-01 5.92 -5.184298291e-01 5.94 -5.112635998e-01 5.96 -4.982312990e-01 5.98 -4.800464848e-01 6.00 -4.575606717e-01