# 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 = MoW2 # 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 2.391564854e+02 0.98 2.230382873e+02 1.00 2.075817961e+02 1.02 1.933478426e+02 1.04 1.800695910e+02 1.06 1.669005356e+02 1.08 1.556376130e+02 1.10 1.458570863e+02 1.12 1.373087685e+02 1.14 1.300869650e+02 1.16 1.235917061e+02 1.18 1.171576173e+02 1.20 1.106534873e+02 1.22 1.046627965e+02 1.24 9.933225706e+01 1.26 9.436296569e+01 1.28 8.974840464e+01 1.30 8.560045562e+01 1.32 8.189711772e+01 1.34 7.850178921e+01 1.36 7.506742311e+01 1.38 7.185308056e+01 1.40 6.892891484e+01 1.42 6.617284281e+01 1.44 6.338237121e+01 1.46 6.049433451e+01 1.48 5.769567850e+01 1.50 5.497855294e+01 1.52 5.222537909e+01 1.54 4.950976972e+01 1.56 4.693565723e+01 1.58 4.449608836e+01 1.60 4.212434410e+01 1.62 3.975904012e+01 1.64 3.739681446e+01 1.66 3.515154737e+01 1.68 3.310911532e+01 1.70 3.121450337e+01 1.72 2.938757467e+01 1.74 2.759040890e+01 1.76 2.582661468e+01 1.78 2.412307823e+01 1.80 2.248162982e+01 1.82 2.090467276e+01 1.84 1.939892997e+01 1.86 1.794971135e+01 1.88 1.653666466e+01 1.90 1.514266563e+01 1.92 1.375644991e+01 1.94 1.238989927e+01 1.96 1.103349357e+01 1.98 9.708614329e+00 2.00 8.400927895e+00 2.02 7.125329630e+00 2.04 5.980273479e+00 2.06 4.964478956e+00 2.08 4.059470810e+00 2.10 3.274656110e+00 2.12 2.599917588e+00 2.14 1.774003611e+00 2.16 9.786462657e-01 2.18 3.206880261e-01 2.20 -2.767406316e-01 2.22 -8.177724224e-01 2.24 -1.277752056e+00 2.26 -1.669105569e+00 2.28 -2.373387597e+00 2.30 -2.948849155e+00 2.32 -3.488191293e+00 2.34 -4.017732369e+00 2.36 -4.503895333e+00 2.38 -4.937998732e+00 2.40 -5.338247817e+00 2.42 -5.628095022e+00 2.44 -5.860451974e+00 2.46 -6.073500965e+00 2.48 -6.271677539e+00 2.50 -6.400091903e+00 2.52 -6.477893952e+00 2.54 -6.597093655e+00 2.56 -6.730332962e+00 2.58 -6.860670243e+00 2.60 -6.959951516e+00 2.62 -7.041198633e+00 2.64 -7.095147746e+00 2.66 -7.124309414e+00 2.68 -7.143703833e+00 2.70 -7.159650958e+00 2.72 -7.164928546e+00 2.74 -7.159804748e+00 2.76 -7.145985909e+00 2.78 -7.123198015e+00 2.80 -7.087356715e+00 2.82 -7.030787294e+00 2.84 -6.946508907e+00 2.86 -6.841688366e+00 2.88 -6.727975831e+00 2.90 -6.619824667e+00 2.92 -6.530274002e+00 2.94 -6.447115930e+00 2.96 -6.356451157e+00 2.98 -6.239743160e+00 3.00 -6.116325025e+00 3.02 -6.021463194e+00 3.04 -5.983935345e+00 3.06 -5.991774269e+00 3.08 -6.004749479e+00 3.10 -5.984921733e+00 3.12 -5.909009723e+00 3.14 -5.793984054e+00 3.16 -5.667416694e+00 3.18 -5.559776012e+00 3.20 -5.482000038e+00 3.22 -5.425039185e+00 3.24 -5.373992984e+00 3.26 -5.327025716e+00 3.28 -5.287265482e+00 3.30 -5.239221042e+00 3.32 -5.161420092e+00 3.34 -4.967138726e+00 3.36 -4.740845614e+00 3.38 -4.520049030e+00 3.40 -4.320528036e+00 3.42 -4.148362157e+00 3.44 -3.996278171e+00 3.46 -3.855998535e+00 3.48 -3.718611365e+00 3.50 -3.583716407e+00 3.52 -3.459342523e+00 3.54 -3.360039995e+00 3.56 -3.306621169e+00 3.58 -3.300802010e+00 3.60 -3.319809906e+00 3.62 -3.337581346e+00 3.64 -3.327583108e+00 3.66 -3.280260871e+00 3.68 -3.209566985e+00 3.70 -3.131595991e+00 3.72 -3.065675054e+00 3.74 -3.022069570e+00 3.76 -2.988083423e+00 3.78 -2.945796072e+00 3.80 -2.880519374e+00 3.82 -2.775236757e+00 3.84 -2.620187539e+00 3.86 -2.452322292e+00 3.88 -2.272386092e+00 3.90 -2.092090768e+00 3.92 -1.927721643e+00 3.94 -1.800011105e+00 3.96 -1.711265023e+00 3.98 -1.653542217e+00 4.00 -1.619999010e+00 4.02 -1.602259506e+00 4.04 -1.594184384e+00 4.06 -1.590431159e+00 4.08 -1.586459885e+00 4.10 -1.579340195e+00 4.12 -1.568172479e+00 4.14 -1.554776649e+00 4.16 -1.541122884e+00 4.18 -1.529216190e+00 4.20 -1.521134008e+00 4.22 -1.518850090e+00 4.24 -1.522854899e+00 4.26 -1.532708741e+00 4.28 -1.547899900e+00 4.30 -1.567804226e+00 4.32 -1.591686387e+00 4.34 -1.618804424e+00 4.36 -1.647486029e+00 4.38 -1.675762538e+00 4.40 -1.701677794e+00 4.42 -1.723275510e+00 4.44 -1.738570735e+00 4.46 -1.745863723e+00 4.48 -1.745369179e+00 4.50 -1.739161155e+00 4.52 -1.729558705e+00 4.54 -1.718940819e+00 4.56 -1.709745020e+00 4.58 -1.703688449e+00 4.60 -1.700838806e+00 4.62 -1.699804744e+00 4.64 -1.697980619e+00 4.66 -1.692672891e+00 4.68 -1.681251934e+00 4.70 -1.662456894e+00 4.72 -1.636750831e+00 4.74 -1.604139153e+00 4.76 -1.566340337e+00 4.78 -1.526747066e+00 4.80 -1.490306320e+00 4.82 -1.459984898e+00 4.84 -1.435369161e+00 4.86 -1.415381684e+00 4.88 -1.398130006e+00 4.90 -1.379929586e+00 4.92 -1.358058261e+00 4.94 -1.332762539e+00 4.96 -1.303668173e+00 4.98 -1.273366208e+00 5.00 -1.250739490e+00 5.02 -1.249142220e+00 5.04 -1.273697098e+00 5.06 -1.307765063e+00 5.08 -1.338809768e+00 5.10 -1.365124051e+00 5.12 -1.382593815e+00 5.14 -1.380772763e+00 5.16 -1.354289836e+00 5.18 -1.310354540e+00 5.20 -1.258615722e+00 5.22 -1.200783069e+00 5.24 -1.136018258e+00 5.26 -1.075116618e+00 5.28 -1.034158024e+00 5.30 -1.014910941e+00 5.32 -1.010890984e+00 5.34 -1.012971886e+00 5.36 -1.012713687e+00 5.38 -1.004646733e+00 5.40 -9.906768303e-01 5.42 -9.713753299e-01 5.44 -9.476525640e-01 5.46 -9.204389747e-01 5.48 -8.905860518e-01 5.50 -8.589251373e-01 5.52 -8.262757678e-01 5.54 -7.935058401e-01 5.56 -7.615684180e-01 5.58 -7.314807418e-01 5.60 -7.046018114e-01 5.62 -6.824462322e-01 5.64 -6.665067346e-01 5.66 -6.579973179e-01 5.68 -6.569777217e-01 5.70 -6.609077890e-01 5.72 -6.669777235e-01 5.74 -6.731794917e-01 5.76 -6.786637163e-01 5.78 -6.833920833e-01 5.80 -6.876701403e-01 5.82 -6.918330124e-01 5.84 -6.953705538e-01 5.86 -6.971436467e-01 5.88 -6.959247016e-01 5.90 -6.906610912e-01 5.92 -6.806304854e-01 5.94 -6.654646750e-01 5.96 -6.447113282e-01 5.98 -6.178176207e-01 6.00 -5.838616641e-01