# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--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 2024-04-11 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 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 5.107753491e+02 1.16 4.693314395e+02 1.18 4.313970189e+02 1.20 3.966543675e+02 1.22 3.648167732e+02 1.24 3.356238064e+02 1.26 3.088384834e+02 1.28 2.842463339e+02 1.30 2.616530424e+02 1.32 2.408797253e+02 1.34 2.217585199e+02 1.36 2.041315207e+02 1.38 1.878534866e+02 1.40 1.727958809e+02 1.42 1.588490874e+02 1.44 1.459213192e+02 1.46 1.339350584e+02 1.48 1.228229942e+02 1.50 1.125250117e+02 1.52 1.029866542e+02 1.54 9.415855652e+01 1.56 8.599605399e+01 1.58 7.845843627e+01 1.60 7.150779131e+01 1.62 6.510772161e+01 1.64 5.922228767e+01 1.66 5.381540811e+01 1.68 4.885075825e+01 1.70 4.429206290e+01 1.72 4.010362604e+01 1.74 3.625096734e+01 1.76 3.270148902e+01 1.78 2.942633749e+01 1.80 2.639983067e+01 1.82 2.359852836e+01 1.84 2.100399463e+01 1.86 1.860334373e+01 1.88 1.638360309e+01 1.90 1.433409443e+01 1.92 1.244577133e+01 1.94 1.071042089e+01 1.96 9.120059133e+00 1.98 7.666562744e+00 2.00 6.341498838e+00 2.02 5.136080847e+00 2.04 4.041189394e+00 2.06 3.047432092e+00 2.08 2.145249599e+00 2.10 1.325088909e+00 2.12 5.776524879e-01 2.14 -1.057991797e-01 2.16 -7.331459637e-01 2.18 -1.311175028e+00 2.20 -1.845469327e+00 2.22 -2.340434816e+00 2.24 -2.799444469e+00 2.26 -3.225051971e+00 2.28 -3.619223250e+00 2.30 -3.983545407e+00 2.32 -4.319390678e+00 2.34 -4.628029626e+00 2.36 -4.910638869e+00 2.38 -5.168268123e+00 2.40 -5.402367440e+00 2.42 -5.614383151e+00 2.44 -5.805702346e+00 2.46 -5.977644570e+00 2.48 -6.131451126e+00 2.50 -6.268274802e+00 2.52 -6.389129220e+00 2.54 -6.494425713e+00 2.56 -6.584251440e+00 2.58 -6.658747908e+00 2.60 -6.718097258e+00 2.62 -6.762510785e+00 2.64 -6.792196283e+00 2.66 -6.807277588e+00 2.68 -6.808153436e+00 2.70 -6.795277852e+00 2.72 -6.769118286e+00 2.74 -6.730158074e+00 2.76 -6.678896608e+00 2.78 -6.615848551e+00 2.80 -6.541543994e+00 2.82 -6.456504778e+00 2.84 -6.361100339e+00 2.86 -6.255700606e+00 2.88 -6.140774838e+00 2.90 -6.016902079e+00 2.92 -5.884779541e+00 2.94 -5.745224888e+00 2.96 -5.599168141e+00 2.98 -5.447630183e+00 3.00 -5.291687152e+00 3.02 -5.132422903e+00 3.04 -4.970874575e+00 3.06 -4.807978240e+00 3.08 -4.644522104e+00 3.10 -4.481113574e+00 3.12 -4.318164004e+00 3.14 -4.155891984e+00 3.16 -3.994343235e+00 3.18 -3.833423352e+00 3.20 -3.672938831e+00 3.22 -3.512642027e+00 3.24 -3.352276448e+00 3.26 -3.191619746e+00 3.28 -3.030522578e+00 3.30 -2.868942011e+00 3.32 -2.706968293e+00 3.34 -2.544843802e+00 3.36 -2.382972831e+00 3.38 -2.221920957e+00 3.40 -2.062403030e+00 3.42 -1.905259520e+00 3.44 -1.751422023e+00 3.46 -1.601869934e+00 3.48 -1.457581558e+00 3.50 -1.319483819e+00 3.52 -1.188405127e+00 3.54 -1.065035676e+00 3.56 -9.498984968e-01 3.58 -8.433332071e-01 3.60 -7.454927838e-01 3.62 -6.563522039e-01 3.64 -5.757266698e-01 3.66 -5.032964896e-01 3.68 -4.386355431e-01 3.70 -3.812405379e-01 3.72 -3.305588092e-01 3.74 -2.860130866e-01 3.76 -2.470223119e-01 3.78 -2.130181703e-01 3.80 -1.834574261e-01 3.82 -1.578304497e-01 3.84 -1.356664859e-01 3.86 -1.165362716e-01 3.88 -1.000526025e-01 3.90 -8.586939020e-02 3.92 -7.367967402e-02 3.94 -6.321297075e-02 3.96 -5.423223729e-02 3.98 -4.653015057e-02 4.00 -3.992728272e-02 4.02 -3.426849772e-02 4.04 -2.941961906e-02 4.06 -2.526493916e-02 4.08 -2.170490187e-02 4.10 -1.865385204e-02 4.12 -1.603823328e-02 4.14 -1.379550109e-02 4.16 -1.187201392e-02 4.18 -1.022180321e-02 4.20 -8.805517203e-03 4.22 -7.589492320e-03 4.24 -6.544943801e-03 4.26 -5.647264567e-03 4.28 -4.875420610e-03 4.30 -4.211431362e-03 4.32 -3.639924207e-03 4.34 -3.147753251e-03 4.36 -2.723673516e-03 4.38 -2.358062770e-03 4.40 -2.042684171e-03 4.42 -1.770483841e-03 4.44 -1.535418256e-03 4.46 -1.332307088e-03 4.48 -1.156707731e-03 4.50 -1.004808315e-03 4.52 -8.733364606e-04 4.54 -7.594814402e-04 4.56 -6.608277543e-04 4.58 -5.752984308e-04 4.60 -5.011066030e-04 4.62 -4.367141425e-04 4.64 -3.807963020e-04 4.66 -3.322114809e-04 4.68 -2.899753596e-04 4.70 -2.532387603e-04 4.72 -2.212686870e-04 4.74 -1.934320808e-04 4.76 -1.691818931e-04 4.78 -1.480451414e-04 4.80 -1.296126344e-04 4.82 -1.135302662e-04 4.84 -9.949130520e-05 4.86 -8.722999739e-05 4.88 -7.651594873e-05 4.90 -6.714931470e-05 4.92 -5.895665826e-05 4.94 -5.178738176e-05 4.96 -4.551065152e-05 4.98 -4.001274557e-05 5.00 -3.519476513e-05 5.02 -3.097065892e-05 5.04 -2.726551655e-05 5.06 -2.401409360e-05 5.08 -2.115953632e-05 5.10 -1.865227826e-05 5.12 -1.644908516e-05 5.14 -1.451222787e-05 5.16 -1.280876557e-05 5.18 -1.130992448e-05 5.20 -9.990558869e-06 5.22 -8.828683375e-06 5.24 -7.805066906e-06 5.26 -6.902879885e-06 5.28 -6.107387662e-06 5.30 -5.405683926e-06 5.32 -4.786458791e-06 5.34 -4.239796933e-06 5.36 -3.757001819e-06 5.38 -3.330442572e-06 5.40 -2.953420495e-06 5.42 -2.620052679e-06 5.44 -2.325170458e-06 5.46 -2.064230788e-06 5.48 -1.833238846e-06 5.50 -1.628680425e-06 5.52 -1.447462843e-06 5.54 -1.286863271e-06 5.56 -1.144483538e-06 5.58 -1.018210570e-06 5.60 -9.061817632e-07 5.62 -8.067546443e-07 5.64 -7.184802911e-07 5.66 -6.400800287e-07 5.68 -5.704249916e-07 5.70 -5.085181929e-07 5.72 -4.534787846e-07 5.74 -4.045282368e-07 5.76 -3.609781969e-07 5.78 -3.222198196e-07 5.80 -2.877143863e-07 5.82 -2.569850553e-07 5.84 -2.296096020e-07 5.86 -2.052140302e-07 5.88 -1.834669452e-07 5.90 -1.640745983e-07 5.92 -1.467765191e-07 5.94 -1.313416654e-07 5.96 -1.175650285e-07 5.98 -1.052646369e-07 6.00 -9.427891386e-08