# 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 = Id3K # 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 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 1.084570325e+06 nan nan 1.30 8.706537015e+05 nan nan 1.32 7.012151384e+05 nan nan 1.34 5.665403503e+05 nan nan 1.36 4.591364259e+05 nan nan 1.38 3.732016579e+05 nan nan 1.40 3.042269004e+05 1.082060157e+06 nan 1.42 2.486948598e+05 nan nan 1.44 2.038523820e+05 7.259190508e+05 nan 1.46 1.675369850e+05 5.969760663e+05 8.165814569e+05 1.48 1.380444899e+05 4.922075551e+05 6.733339798e+05 1.50 1.140276003e+05 4.068468642e+05 5.566141926e+05 1.52 9.441774234e+04 3.371125433e+05 4.612544967e+05 1.54 7.836494194e+04 2.799956425e+05 3.831428067e+05 1.56 6.519095197e+04 2.330948009e+05 3.189970423e+05 1.58 5.435317245e+04 1.944875824e+05 2.661902440e+05 1.60 4.541603042e+04 1.626311638e+05 2.226134133e+05 1.62 3.802918096e+04 1.362837067e+05 1.865690326e+05 1.64 3.190991150e+04 1.144428067e+05 1.566870975e+05 1.66 2.682956415e+04 9.629748517e+04 1.318589209e+05 1.68 2.260272381e+04 8.118990190e+04 1.111852237e+05 1.70 1.907864528e+04 6.858487248e+04 9.393434466e+04 1.72 1.613453413e+04 5.804622430e+04 7.950998720e+04 1.74 1.367003118e+04 4.921755055e+04 6.742480273e+04 1.76 1.160299463e+04 4.180690895e+04 5.727953267e+04 1.78 9.866061189e+03 3.557462632e+04 4.874649145e+04 1.80 8.403787504e+03 3.032354878e+04 4.155605046e+04 1.82 7.170513962e+03 2.589118150e+04 3.548589270e+04 1.84 6.128545802e+03 2.214319136e+04 3.035235926e+04 1.86 5.246677553e+03 1.896835910e+04 2.600338633e+04 1.88 4.499039812e+03 1.627445829e+04 2.231274890e+04 1.90 3.864155746e+03 1.398483558e+04 1.917556833e+04 1.92 3.324157628e+03 1.203567102e+04 1.650453522e+04 1.94 2.864114476e+03 1.037367717e+04 1.422673914e+04 1.96 2.471575107e+03 8.954328842e+03 1.228124391e+04 1.98 2.136120941e+03 7.740351015e+03 1.061703462e+04 2.00 1.849019495e+03 6.700473795e+03 9.191323653e+03 2.02 1.602931884e+03 5.808436572e+03 7.968134597e+03 2.04 1.391691583e+03 5.042114232e+03 6.917183807e+03 2.06 1.210102324e+03 4.382854795e+03 6.012945591e+03 2.08 1.053782161e+03 3.814916748e+03 5.233865520e+03 2.10 9.190237723e+02 3.324985509e+03 4.561723112e+03 2.12 8.026899760e+02 2.901782412e+03 3.981053389e+03 2.14 7.021226317e+02 2.535739183e+03 3.478751018e+03 2.16 6.150662029e+02 2.218733945e+03 3.043681891e+03 2.18 5.396040188e+02 1.943847278e+03 2.666370409e+03 2.20 4.741050776e+02 1.705179172e+03 2.338751944e+03 2.22 4.171747264e+02 1.497701685e+03 2.053927244e+03 2.24 3.676252460e+02 1.317119090e+03 1.806003799e+03 2.26 3.244418625e+02 1.159755176e+03 1.589945026e+03 2.28 2.867560741e+02 1.022462149e+03 1.401434217e+03 2.30 2.538248526e+02 9.025409472e+02 1.236768095e+03 2.32 2.250112504e+02 7.976734717e+02 1.092767816e+03 2.34 1.997644982e+02 7.058634348e+02 9.666968135e+02 2.36 1.776134746e+02 6.253904930e+02 8.561968496e+02 2.38 1.581523244e+02 5.547743656e+02 7.592364867e+02 2.40 1.410309273e+02 4.927376728e+02 6.740625194e+02 2.42 1.259488247e+02 4.381765787e+02 5.991599228e+02 2.44 1.126452827e+02 3.901361898e+02 5.332180323e+02 2.46 1.008957686e+02 3.477887594e+02 4.751007728e+02 2.48 9.050397409e+01 3.104188088e+02 4.238290423e+02 2.50 8.130062815e+01 2.774051453e+02 3.785442566e+02 2.52 7.313883813e+01 2.482068801e+02 3.385041541e+02 2.54 6.589102723e+01 2.223543918e+02 3.030633750e+02 2.56 5.944612335e+01 1.994372124e+02 2.716600930e+02 2.58 5.370736486e+01 1.790990199e+02 2.438048080e+02 2.60 4.858995500e+01 1.610284434e+02 2.190700373e+02 2.62 4.402055785e+01 1.449545912e+02 1.970828584e+02 2.64 3.993573359e+01 1.306410750e+02 1.775171995e+02 2.66 3.627811039e+01 1.178805407e+02 1.600907280e+02 2.68 3.299795332e+01 1.064914946e+02 1.445505964e+02 2.70 3.005184299e+01 9.631490022e+01 1.306771487e+02 2.72 2.740248559e+01 8.721138448e+01 1.182782654e+02 2.74 2.501641354e+01 7.905851407e+01 1.071849515e+02 2.76 2.286424301e+01 7.174914481e+01 9.724878944e+01 2.78 2.092013871e+01 6.518862514e+01 8.833836691e+01 2.80 1.916138196e+01 5.929388282e+01 8.033925725e+01 2.82 1.756794513e+01 5.399138420e+01 7.315067554e+01 2.84 1.612219279e+01 4.921561753e+01 6.668303695e+01 2.86 1.480895061e+01 4.490909914e+01 6.085725939e+01 2.88 1.361408440e+01 4.102218066e+01 5.560368485e+01 2.90 1.252543190e+01 3.751011123e+01 5.086062540e+01 2.92 1.153228264e+01 3.433296382e+01 4.657302100e+01 2.94 1.062515199e+01 3.145577842e+01 4.269248176e+01 2.96 9.795630906e+00 2.884782621e+01 3.917612235e+01 2.98 9.036250823e+00 2.648138989e+01 3.598590589e+01 3.00 8.340339256e+00 2.433181818e+01 3.308789547e+01 3.02 7.701956788e+00 2.237716063e+01 3.045216477e+01 3.04 7.115782621e+00 2.059784849e+01 2.805224105e+01 3.06 6.577051739e+00 1.897638769e+01 2.586437487e+01 3.08 6.081492838e+00 1.749715801e+01 2.386746577e+01 3.10 5.625243194e+00 1.614625769e+01 2.204260210e+01 3.12 5.204811343e+00 1.491118058e+01 2.037295348e+01 3.14 4.816779734e+00 1.378072362e+01 1.884353188e+01 3.16 4.458596675e+00 1.274484003e+01 1.744094334e+01 3.18 4.127644854e+00 1.179442470e+01 1.615326305e+01 3.20 3.821524255e+00 1.092148635e+01 1.497001034e+01 3.22 3.538047198e+00 1.011867831e+01 1.388119543e+01 3.24 3.275218034e+00 9.379515544e+00 1.287821359e+01 3.26 3.031215784e+00 8.698093113e+00 1.195333550e+01 3.28 2.804307041e+00 8.069120264e+00 1.109947634e+01 3.30 2.592834858e+00 7.487844164e+00 1.031010709e+01 3.32 2.395718155e+00 6.949995830e+00 9.580204988e+00 3.34 2.211684795e+00 6.451741454e+00 8.904652044e+00 3.36 2.039583144e+00 5.989638379e+00 8.278832095e+00 3.38 1.878373263e+00 5.560595154e+00 7.698573037e+00 3.40 1.727084854e+00 5.161835180e+00 7.160095898e+00 3.42 1.584901044e+00 4.790865343e+00 6.659971577e+00 3.44 1.451090338e+00 4.445441095e+00 6.195082754e+00 3.46 1.324980839e+00 4.123541641e+00 5.762590453e+00 3.48 1.205973999e+00 3.823344834e+00 5.359904813e+00 3.50 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1.141434971e+00 3.88 -1.947016792e-01 6.188621884e-01 1.026733038e+00 3.90 -2.303057524e-01 5.415341006e-01 9.184311106e-01 3.92 -2.636983574e-01 4.686042446e-01 8.161908393e-01 3.94 -2.952093857e-01 3.997533573e-01 7.197037039e-01 3.96 -3.244583481e-01 3.346909882e-01 6.286868194e-01 3.98 -3.515681378e-01 2.731537956e-01 5.428755727e-01 4.00 -3.766542275e-01 2.149038015e-01 4.620259956e-01 4.02 -3.998255709e-01 1.597266103e-01 3.859069312e-01 4.04 -4.211849069e-01 1.074296006e-01 3.143030944e-01 4.06 -4.408285104e-01 5.784077694e-02 2.470151669e-01 4.08 -4.588671554e-01 1.080514787e-02 1.838459236e-01 4.10 -4.753841581e-01 -3.381583500e-02 1.246059026e-01 4.12 -4.904356993e-01 -7.614573203e-02 6.911309135e-02 4.14 -5.040985872e-01 -1.162951931e-01 1.719078939e-02 4.16 -5.164444890e-01 -1.543635623e-01 -3.133309856e-02 4.18 -5.275301365e-01 -1.904403863e-01 -7.662655597e-02 4.20 -5.374302998e-01 -2.246068137e-01 -1.188537631e-01 4.22 -5.462031780e-01 -2.569368736e-01 -1.581752489e-01 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