# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = KNa3 # 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 5.190367714e+02 nan nan 1.12 4.852539468e+02 nan nan 1.14 4.539569335e+02 nan nan 1.16 4.249338788e+02 nan nan 1.18 3.979947343e+02 nan nan 1.20 3.729663598e+02 5.187962425e+02 nan 1.22 3.496914867e+02 nan nan 1.24 3.280310820e+02 nan nan 1.26 3.078560874e+02 4.317050338e+02 nan 1.28 2.890512373e+02 4.064632365e+02 4.532080335e+02 1.30 2.715087862e+02 3.828713716e+02 4.272826501e+02 1.32 2.551314325e+02 3.608074138e+02 4.030225514e+02 1.34 2.398295329e+02 3.401569962e+02 3.803072772e+02 1.36 2.255208522e+02 3.208153335e+02 3.590205268e+02 1.38 2.121336849e+02 3.026863811e+02 3.390594026e+02 1.40 1.995999225e+02 2.856854679e+02 3.203289377e+02 1.42 1.878562840e+02 2.697318786e+02 3.027409093e+02 1.44 1.768482491e+02 2.547506230e+02 2.862155071e+02 1.46 1.665231747e+02 2.406749340e+02 2.706787125e+02 1.48 1.568338406e+02 2.274421115e+02 2.560624873e+02 1.50 1.477379547e+02 2.149956678e+02 2.423022789e+02 1.52 1.391955433e+02 2.032814415e+02 2.293428254e+02 1.54 1.311695649e+02 1.922501964e+02 2.171299283e+02 1.56 1.236244209e+02 1.818577396e+02 2.056144144e+02 1.58 1.165301740e+02 1.720612759e+02 1.947506961e+02 1.60 1.098576503e+02 1.628228119e+02 1.844982930e+02 1.62 1.035797836e+02 1.541065251e+02 1.748188486e+02 1.64 9.767003605e+01 1.458782274e+02 1.656761896e+02 1.66 9.210498909e+01 1.381074090e+02 1.570367474e+02 1.68 8.686410284e+01 1.307674511e+02 1.488701908e+02 1.70 8.192656762e+01 1.238315857e+02 1.411488520e+02 1.72 7.727304792e+01 1.172754412e+02 1.338465358e+02 1.74 7.288521448e+01 1.110770021e+02 1.269383408e+02 1.76 6.874662677e+01 1.052154251e+02 1.204002799e+02 1.78 6.484148155e+01 9.967023407e+01 1.142115476e+02 1.80 6.115654152e+01 9.442363947e+01 1.083515013e+02 1.82 5.767835426e+01 8.945940457e+01 1.028011905e+02 1.84 5.439459719e+01 8.476139339e+01 9.754369842e+01 1.86 5.129349768e+01 8.031434980e+01 9.256207886e+01 1.88 4.836380582e+01 7.610349963e+01 8.783943873e+01 1.90 4.559640773e+01 7.211543303e+01 8.336134140e+01 1.92 4.298156060e+01 6.833769154e+01 7.911515706e+01 1.94 4.051082302e+01 6.475874581e+01 7.508758702e+01 1.96 3.817605176e+01 6.136693418e+01 7.126592266e+01 1.98 3.596949608e+01 5.815169037e+01 6.763878308e+01 2.00 3.388390195e+01 5.510235991e+01 6.419547841e+01 2.02 3.191225419e+01 5.221082764e+01 6.092578965e+01 2.04 3.004802099e+01 4.946798752e+01 5.782002188e+01 2.06 2.828575784e+01 4.686532786e+01 5.486835533e+01 2.08 2.661983844e+01 4.439489201e+01 5.206376652e+01 2.10 2.504477831e+01 4.204924418e+01 4.939839784e+01 2.12 2.355526602e+01 3.982143940e+01 4.686480110e+01 2.14 2.214708319e+01 3.770499654e+01 4.445602096e+01 2.16 2.081582080e+01 3.569367221e+01 4.216533664e+01 2.18 1.955729523e+01 3.378166852e+01 3.998656753e+01 2.20 1.836775291e+01 3.196432679e+01 3.791451185e+01 2.22 1.724344784e+01 3.023671902e+01 3.594376033e+01 2.24 1.618067006e+01 2.859427400e+01 3.406912231e+01 2.26 1.517634419e+01 2.703251326e+01 3.228562320e+01 2.28 1.422733585e+01 2.554751904e+01 3.058889580e+01 2.30 1.333043517e+01 2.413551721e+01 2.897496537e+01 2.32 1.248308947e+01 2.279355103e+01 2.743986990e+01 2.34 1.168268925e+01 2.151847562e+01 2.597976822e+01 2.36 1.092667710e+01 2.030720254e+01 2.459098872e+01 2.38 1.021231592e+01 1.915682706e+01 2.327005142e+01 2.40 9.537802953e+00 1.806460320e+01 2.201365415e+01 2.42 8.900957825e+00 1.702792185e+01 2.081866125e+01 2.44 8.299723223e+00 1.604429190e+01 1.968209433e+01 2.46 7.732158185e+00 1.511132452e+01 1.860045861e+01 2.48 7.196431721e+00 1.422672047e+01 1.757187701e+01 2.50 6.690780425e+00 1.338818740e+01 1.659381490e+01 2.52 6.213250381e+00 1.259324266e+01 1.566380719e+01 2.54 5.762568851e+00 1.184032814e+01 1.477956355e+01 2.56 5.337547610e+00 1.112743527e+01 1.393862630e+01 2.58 4.936774581e+00 1.045234107e+01 1.313880079e+01 2.60 4.558923005e+00 9.813313529e+00 1.237869915e+01 2.62 4.202744362e+00 9.208564567e+00 1.165641530e+01 2.64 3.867061807e+00 8.636094331e+00 1.097013113e+01 2.66 3.550764175e+00 8.094525920e+00 1.031803313e+01 2.68 3.252800598e+00 7.582168687e+00 9.698708643e+00 2.70 2.972175736e+00 7.097135479e+00 9.110628033e+00 2.72 2.707945630e+00 6.638171781e+00 8.552339684e+00 2.74 2.459214131e+00 6.203882755e+00 8.022462477e+00 2.76 2.225083647e+00 5.792857840e+00 7.519679036e+00 2.78 2.004685488e+00 5.403763733e+00 7.042729768e+00 2.80 1.797399422e+00 5.035326579e+00 6.590407702e+00 2.82 1.602485316e+00 4.686276441e+00 6.161554113e+00 2.84 1.419241784e+00 4.355634216e+00 5.755054893e+00 2.86 1.247004630e+00 4.042348717e+00 5.369837604e+00 2.88 1.085145460e+00 3.745436476e+00 5.004864691e+00 2.90 9.329812092e-01 3.463978756e+00 4.658918647e+00 2.92 7.899951263e-01 3.197118397e+00 4.331191267e+00 2.94 6.557414144e-01 2.944056523e+00 4.020920456e+00 2.96 5.295233084e-01 2.704049137e+00 3.727198797e+00 2.98 4.109867431e-01 2.476403641e+00 3.449157070e+00 3.00 2.998336632e-01 2.260475327e+00 3.185963561e+00 3.02 1.956320663e-01 2.055663873e+00 2.936823472e+00 3.04 9.798003216e-02 1.861409890e+00 2.700689140e+00 3.06 6.503734976e-03 1.677177091e+00 2.477186291e+00 3.08 -7.914449695e-02 1.502472344e+00 2.265635870e+00 3.10 -1.592880614e-01 1.336869172e+00 2.065372598e+00 3.12 -2.342278916e-01 1.179937530e+00 1.875768732e+00 3.14 -3.042441840e-01 1.031273427e+00 1.696233039e+00 3.16 -3.695980392e-01 8.904963867e-01 1.526209694e+00 3.18 -4.305330070e-01 7.572471401e-01 1.365177099e+00 3.20 -4.872765342e-01 6.311855624e-01 1.212646612e+00 3.22 -5.400413114e-01 5.119888416e-01 1.068161191e+00 3.24 -5.890811936e-01 3.993012786e-01 9.311846092e-01 3.26 -6.345683568e-01 2.928431171e-01 8.013479235e-01 3.28 -6.766149377e-01 1.923910594e-01 6.784067167e-01 3.30 -7.153905884e-01 9.767362634e-02 5.620062794e-01 3.32 -7.510547250e-01 8.431318771e-03 4.518171920e-01 3.34 -7.837574150e-01 -7.558416291e-02 3.475334494e-01 3.36 -8.136401804e-01 -1.546105691e-01 2.488706041e-01 3.38 -8.408367217e-01 -2.289742845e-01 1.555639487e-01 3.40 -8.654735698e-01 -2.990433144e-01 6.736675273e-02 3.42 -8.876706722e-01 -3.646964076e-01 -1.595142765e-02 3.44 -9.075419212e-01 -4.261489028e-01 -9.460635474e-02 3.46 -9.252903128e-01 -4.836051319e-01 -1.688006169e-01 3.48 -9.410793598e-01 -5.372589804e-01 -2.387250290e-01 3.50 -9.547952148e-01 -5.872944075e-01 -3.045599192e-01 3.52 -9.665421762e-01 -6.338859303e-01 -3.664762971e-01 3.54 -9.764443640e-01 -6.773660186e-01 -4.246879061e-01 3.56 -9.845721016e-01 -7.177890038e-01 -4.793039305e-01 3.58 -9.910047062e-01 -7.551844424e-01 -5.304544790e-01 3.60 -9.958279134e-01 -7.897036549e-01 -5.782852978e-01 3.62 -9.991232896e-01 -8.214889688e-01 -6.229364243e-01 3.64 -1.000968609e+00 -8.506743035e-01 -6.645427370e-01 3.66 -1.001438196e+00 -8.773857291e-01 -7.032344074e-01 3.68 -1.000603232e+00 -9.017419988e-01 -7.391372629e-01 3.70 -9.985320330e-01 -9.238550550e-01 -7.723730716e-01 3.72 -9.952902935e-01 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