# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr2 # composition = Si # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 6.294790691e+02 nan 0.80 nan nan nan nan nan nan nan nan 5.556524441e+02 nan 0.82 nan nan nan nan nan nan nan nan 4.911439930e+02 nan 0.84 nan nan nan nan nan 4.056177310e+02 nan nan 4.347160786e+02 nan 0.86 nan nan nan nan nan 3.625190914e+02 nan nan 3.853375301e+02 nan 0.88 nan nan nan nan nan 3.246131527e+02 nan nan 3.422130946e+02 nan 0.90 nan nan nan nan nan 2.914539512e+02 nan nan 3.045376904e+02 nan 0.92 nan nan nan nan nan 2.625427161e+02 nan nan 2.715582679e+02 nan 0.94 nan nan nan 6.372232866e+02 6.372149526e+02 2.372060364e+02 nan nan 2.427323053e+02 3.780078989e+02 0.96 nan 3.121132918e+02 nan 5.715915301e+02 5.715680738e+02 2.146264745e+02 3.344084249e+02 nan 2.175758993e+02 3.381401884e+02 0.98 nan 2.787339800e+02 nan 5.133884118e+02 5.134295959e+02 1.944335146e+02 2.989722818e+02 nan 1.955756322e+02 3.027913732e+02 1.00 nan 2.492598177e+02 nan 4.615968195e+02 4.617099296e+02 1.763261743e+02 2.677099750e+02 nan 1.762756316e+02 2.715366430e+02 1.02 nan 2.230808982e+02 nan 4.154105641e+02 4.155657434e+02 1.601939373e+02 2.399936655e+02 nan 1.592965083e+02 2.439881622e+02 1.04 nan 1.998286024e+02 nan 3.741925305e+02 3.743544584e+02 1.458143260e+02 2.154181868e+02 nan 1.444155070e+02 2.198161545e+02 1.06 nan 1.792315474e+02 nan 3.372874318e+02 3.374421234e+02 1.329831624e+02 1.937177501e+02 3.026729521e+02 1.313311504e+02 1.985683118e+02 1.08 3.040936310e+02 1.610723829e+02 2.596151998e+02 3.042647239e+02 3.043982921e+02 1.216217766e+02 1.746984869e+02 2.727925064e+02 1.198092133e+02 1.798814679e+02 1.10 2.746315117e+02 1.450617448e+02 2.339887196e+02 2.746271480e+02 2.747320083e+02 1.116122168e+02 1.580595003e+02 2.460355439e+02 1.096382642e+02 1.633648902e+02 1.12 2.481754691e+02 1.309371394e+02 2.111889691e+02 2.480530672e+02 2.480989353e+02 1.026117024e+02 1.435402398e+02 2.220906603e+02 1.005841783e+02 1.486749807e+02 1.14 2.244628433e+02 1.184735252e+02 1.910095713e+02 2.243078803e+02 2.243021757e+02 9.457666679e+01 1.307905472e+02 2.007033603e+02 9.257971674e+01 1.355579705e+02 1.16 2.032265435e+02 1.074795752e+02 1.729721615e+02 2.030966961e+02 2.030553366e+02 8.726328174e+01 1.195103515e+02 1.816109132e+02 8.546749441e+01 1.239055593e+02 1.18 1.841831105e+02 9.783490702e+01 1.567609827e+02 1.841055821e+02 1.840365939e+02 8.059824927e+01 1.095154530e+02 1.645786384e+02 7.915831821e+01 1.136350235e+02 1.20 1.671163926e+02 8.941659634e+01 1.422346656e+02 1.670827982e+02 1.669975668e+02 7.457873258e+01 1.006943326e+02 1.493883619e+02 7.356686973e+01 1.045152731e+02 1.22 1.518924820e+02 8.209199543e+01 1.292853878e+02 1.518739422e+02 1.517835761e+02 6.920834409e+01 9.291754107e+01 1.358601262e+02 6.854850848e+01 9.634777305e+01 1.24 1.383622883e+02 7.567243854e+01 1.177717892e+02 1.383649338e+02 1.382835787e+02 6.443980412e+01 8.594383994e+01 1.238768469e+02 6.404219346e+01 8.902361320e+01 1.26 1.263643597e+02 7.003846280e+01 1.076081333e+02 1.263974667e+02 1.263369617e+02 6.021000444e+01 7.970884678e+01 1.132887429e+02 5.993498018e+01 8.250805803e+01 1.28 1.156928549e+02 6.509168516e+01 9.865266796e+01 1.157328191e+02 1.156983745e+02 5.645284962e+01 7.406418224e+01 1.039068365e+02 5.618842969e+01 7.667058192e+01 1.30 1.062345891e+02 6.078725503e+01 9.078625083e+01 1.062667112e+02 1.062609450e+02 5.314669579e+01 6.899746501e+01 9.559437523e+01 5.279218098e+01 7.160047721e+01 1.32 9.779199590e+01 5.706818353e+01 8.385428389e+01 9.779765164e+01 9.781169981e+01 5.024200808e+01 6.451344603e+01 8.817375913e+01 4.976082814e+01 6.705568240e+01 1.34 9.025124591e+01 5.384910995e+01 7.777371649e+01 9.021692779e+01 9.023579173e+01 4.771729705e+01 6.055575831e+01 8.154567376e+01 4.710185647e+01 6.291347333e+01 1.36 8.351759993e+01 5.106052498e+01 7.244077487e+01 8.344257104e+01 8.346242758e+01 4.554301680e+01 5.704291813e+01 7.563432348e+01 4.479208120e+01 5.908704777e+01 1.38 7.752140078e+01 4.863920613e+01 6.773874115e+01 7.741648903e+01 7.743868266e+01 4.366788563e+01 5.389121174e+01 7.037991339e+01 4.278905645e+01 5.555782083e+01 1.40 7.215793764e+01 4.651808073e+01 6.357075136e+01 7.207106537e+01 7.210089137e+01 4.203169068e+01 5.103535214e+01 6.572273062e+01 4.105833581e+01 5.233172425e+01 1.42 6.734993166e+01 4.467348307e+01 5.989221308e+01 6.733687286e+01 6.737400183e+01 4.060590038e+01 4.844396144e+01 6.161322839e+01 3.955574478e+01 4.943839893e+01 1.44 6.307097280e+01 4.309286119e+01 5.665016029e+01 6.314452254e+01 6.317929740e+01 3.936749008e+01 4.611022772e+01 5.801305450e+01 3.825760224e+01 4.689353058e+01 1.46 5.930735479e+01 4.174079268e+01 5.377640618e+01 5.943937227e+01 5.946209317e+01 3.830992905e+01 4.398057909e+01 5.487090157e+01 3.715792950e+01 4.466678331e+01 1.48 5.602445323e+01 4.050705854e+01 5.118775725e+01 5.616444916e+01 5.616953471e+01 3.740206677e+01 4.210283582e+01 5.212197097e+01 3.617588400e+01 4.270766751e+01 1.50 5.318178361e+01 3.942150181e+01 4.883747911e+01 5.328092835e+01 5.327042086e+01 3.660774212e+01 4.044457014e+01 4.970412706e+01 3.532562006e+01 4.096840331e+01 1.52 5.070165539e+01 3.841066298e+01 4.673605966e+01 5.074273743e+01 5.072605940e+01 3.591008184e+01 3.898432640e+01 4.755886541e+01 3.456110327e+01 3.939557547e+01 1.54 4.853169258e+01 3.745772385e+01 4.490849275e+01 4.850747472e+01 4.849169253e+01 3.530486925e+01 3.770534143e+01 4.565122365e+01 3.386898347e+01 3.798963997e+01 1.56 4.659331293e+01 3.654820456e+01 4.333250451e+01 4.652702951e+01 4.651820977e+01 3.478715963e+01 3.659041004e+01 4.394342772e+01 3.324406847e+01 3.674826670e+01 1.58 4.482523819e+01 3.568730471e+01 4.197524621e+01 4.475295144e+01 4.475541512e+01 3.436638355e+01 3.561305656e+01 4.240748542e+01 3.268276439e+01 3.567637979e+01 1.60 4.320185261e+01 3.489354589e+01 4.081156587e+01 4.315469383e+01 4.317115568e+01 3.403113433e+01 3.475701681e+01 4.102538695e+01 3.219515372e+01 3.476953996e+01 1.62 4.172908156e+01 3.412254009e+01 3.974607778e+01 4.171499406e+01 4.173924886e+01 3.376473522e+01 3.399581738e+01 3.979484941e+01 3.177830857e+01 3.400852992e+01 1.64 4.042169081e+01 3.345021926e+01 3.873845166e+01 4.042563410e+01 4.044899178e+01 3.354838651e+01 3.331149373e+01 3.870331499e+01 3.143052058e+01 3.336676553e+01 1.66 3.927589783e+01 3.280780156e+01 3.777280639e+01 3.928107397e+01 3.929697383e+01 3.336309457e+01 3.270303945e+01 3.773488617e+01 3.115253943e+01 3.281529922e+01 1.68 3.826418709e+01 3.218936188e+01 3.685174311e+01 3.826538449e+01 3.827276610e+01 3.319884949e+01 3.217405291e+01 3.687313428e+01 3.094551530e+01 3.234261797e+01 1.70 3.736110991e+01 3.159935931e+01 3.598351935e+01 3.736942144e+01 3.737276404e+01 3.304569645e+01 3.170930007e+01 3.611585500e+01 3.079596172e+01 3.193893237e+01 1.72 3.654868470e+01 3.106159960e+01 3.519091549e+01 3.658292071e+01 3.658906953e+01 2.997619244e+01 3.132549379e+01 3.545834344e+01 3.069727326e+01 3.159495812e+01 1.74 3.583458386e+01 3.059644557e+01 3.448591053e+01 3.589500174e+01 3.590899340e+01 2.340660487e+01 3.100460643e+01 3.489819956e+01 3.063677489e+01 3.131187440e+01 1.76 3.522672628e+01 3.020350411e+01 3.386172755e+01 3.529826454e+01 3.532033992e+01 1.800575834e+01 3.073090638e+01 3.434949401e+01 3.060826106e+01 3.108845254e+01 1.78 3.471668815e+01 2.986924886e+01 3.330238463e+01 3.478176049e+01 3.480844439e+01 1.366119034e+01 3.049193087e+01 3.391016279e+01 3.059862022e+01 3.091799878e+01 1.80 3.428680531e+01 2.957208181e+01 3.278574259e+01 3.433051872e+01 3.435515301e+01 1.024508696e+01 3.027891998e+01 3.349271352e+01 3.059985919e+01 3.078977540e+01 1.82 3.380659748e+01 2.927931680e+01 3.223090791e+01 3.381447591e+01 3.382728312e+01 7.566452172e+00 3.005413967e+01 3.304317437e+01 2.512272510e+01 3.063756251e+01 1.84 3.342752290e+01 2.899822099e+01 3.176349596e+01 3.339844056e+01 3.339505371e+01 5.446160090e+00 2.988249447e+01 3.260972950e+01 2.019433650e+01 3.053686122e+01 1.86 3.303022243e+01 2.871564214e+01 3.131672447e+01 3.297592797e+01 3.295764027e+01 3.751756524e+00 2.973210249e+01 3.216088430e+01 1.590907568e+01 3.042790171e+01 1.88 3.260570629e+01 2.844174679e+01 3.088869121e+01 3.254361624e+01 3.251564863e+01 2.386298638e+00 2.960054421e+01 3.170191143e+01 1.234380804e+01 3.030932012e+01 1.90 3.215764616e+01 2.725918750e+01 3.048101058e+01 3.210310539e+01 3.207200202e+01 1.256638270e+00 2.948140816e+01 3.124268663e+01 9.469803189e+00 3.019278788e+01 1.92 3.169151372e+01 2.412449975e+01 3.009573145e+01 3.165481612e+01 3.162693240e+01 2.974578201e-01 2.937052017e+01 3.079415499e+01 7.156680008e+00 3.008304741e+01 1.94 3.122147416e+01 2.114036332e+01 2.973275699e+01 3.120416143e+01 3.118211515e+01 -5.414731382e-01 2.926289185e+01 3.036611522e+01 5.268095587e+00 2.998233994e+01 1.96 3.076001445e+01 1.817924378e+01 2.939007911e+01 3.076083921e+01 3.074384686e+01 -1.291815835e+00 2.915670451e+01 2.996683591e+01 3.672408150e+00 2.988914194e+01 1.98 3.032543658e+01 1.532088640e+01 2.907117262e+01 3.033799702e+01 3.032388023e+01 -1.941687487e+00 2.842979643e+01 2.960342593e+01 2.277901308e+00 2.760987408e+01 2.00 2.993091159e+01 1.273006935e+01 2.877580969e+01 2.994401303e+01 2.993017652e+01 -2.373344274e+00 2.466407174e+01 2.927791785e+01 1.032914922e+00 2.223439411e+01 2.02 2.957970914e+01 1.053643480e+01 2.850701675e+01 2.958616318e+01 2.957347870e+01 -2.724346239e+00 2.136422917e+01 2.898198001e+01 -5.963555114e-02 1.772980537e+01 2.04 2.926490799e+01 8.690352792e+00 2.826982204e+01 2.926358945e+01 2.925468002e+01 -3.005994024e+00 1.823382984e+01 2.870860842e+01 -9.959044110e-01 1.410735237e+01 2.06 2.897444329e+01 7.164769651e+00 2.806843651e+01 2.897103112e+01 2.896962635e+01 -3.243986731e+00 1.522497187e+01 2.845104694e+01 -1.789462896e+00 1.130598404e+01 2.08 2.870206977e+01 5.915459771e+00 2.790647658e+01 2.870244021e+01 2.871172932e+01 -3.454430402e+00 1.236244695e+01 2.821137987e+01 -2.459558203e+00 9.114551183e+00 2.10 2.845315524e+01 4.863665282e+00 2.434368947e+01 2.845819532e+01 2.847738939e+01 -3.647640114e+00 9.681424308e+00 2.575657591e+01 -3.031116939e+00 7.204461565e+00 2.12 2.822380514e+01 3.943697661e+00 1.936365572e+01 2.823477469e+01 2.826114807e+01 -3.828572701e+00 7.262326804e+00 2.348494126e+01 -3.336280572e+00 5.470544702e+00 2.14 2.528296659e+01 3.119121251e+00 1.512151655e+01 2.542299697e+01 2.468109196e+01 -3.990507420e+00 5.171580696e+00 2.162264451e+01 -3.560679501e+00 3.888812072e+00 2.16 2.313087733e+01 2.370836164e+00 1.183615433e+01 2.286682538e+01 2.200009731e+01 -4.122554440e+00 3.417789890e+00 1.983865312e+01 -3.714376523e+00 2.456754332e+00 2.18 2.147346655e+01 1.687195232e+00 9.558171028e+00 2.084843610e+01 1.997426398e+01 -4.226111418e+00 1.988661256e+00 1.796292093e+01 -3.824896606e+00 1.173909664e+00 2.20 1.996961221e+01 1.074196580e+00 8.154129249e+00 1.907062539e+01 1.828810916e+01 -4.312150224e+00 8.343981135e-01 1.592308439e+01 -3.910689110e+00 5.958315610e-02 2.22 1.831700050e+01 5.153383155e-01 7.345777678e+00 1.730279373e+01 1.668538072e+01 -4.385522486e+00 -9.631945068e-02 1.374625373e+01 -3.980542925e+00 -8.884825651e-01 2.24 1.636217316e+01 1.648899179e-02 6.971437202e+00 1.543563381e+01 1.501186543e+01 -4.448329035e+00 -8.483982532e-01 1.158177036e+01 -4.039031570e+00 -1.677191922e+00 2.26 1.421308300e+01 -4.159135105e-01 6.870555348e+00 1.352209026e+01 1.326881623e+01 -4.500191422e+00 -1.466864325e+00 9.590114548e+00 -4.086577947e+00 -2.320741738e+00 2.28 1.206982219e+01 -7.884969870e-01 6.849756857e+00 1.166112269e+01 1.153056044e+01 -4.540126510e+00 -1.986304371e+00 7.787296022e+00 -4.117599834e+00 -2.847448014e+00 2.30 1.007127031e+01 -1.121472949e+00 6.725022507e+00 9.914456851e+00 9.850965003e+00 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