# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Broughton-J-Q-Meli-C-A-Vashishta-P-Kalia-R-K--Si-O # implementation = 1997--Broughton-J-Q--Si-O--LAMMPS--ipr1 # composition = O # 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 nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 1.098789642e+03 nan nan nan nan 0.86 nan nan nan nan nan 9.332172492e+02 nan nan nan nan 0.88 nan nan nan nan nan 7.957147735e+02 nan nan 7.778328126e+02 nan 0.90 nan nan nan nan nan 6.810310627e+02 nan nan 6.660018476e+02 nan 0.92 nan nan nan nan nan 5.849884506e+02 nan nan 5.723332934e+02 nan 0.94 nan nan nan nan nan 5.042431453e+02 nan nan 4.935672354e+02 nan 0.96 nan 5.887963452e+02 nan nan nan 4.360973599e+02 nan nan 4.270814832e+02 nan 0.98 nan 5.110795389e+02 nan nan nan 3.783746784e+02 5.873340459e+02 nan 3.707548674e+02 6.135249451e+02 1.00 nan 4.450133990e+02 nan nan nan 3.293096100e+02 5.111965763e+02 nan 3.228661380e+02 5.338951564e+02 1.02 nan 3.886614898e+02 nan nan nan 2.874645092e+02 4.462637050e+02 nan 2.820137198e+02 4.659939709e+02 1.04 nan 3.404390670e+02 nan nan nan 2.516613456e+02 3.907088819e+02 nan 2.470507980e+02 4.079044401e+02 1.06 nan 2.990446893e+02 5.270713309e+02 nan nan 2.209331460e+02 3.430295351e+02 5.556381326e+02 2.170341911e+02 3.580535234e+02 1.08 5.582454118e+02 2.634028421e+02 4.637002848e+02 5.582637564e+02 5.582824455e+02 1.944801206e+02 3.019865445e+02 4.887899522e+02 1.911869279e+02 3.151462878e+02 1.10 4.922361634e+02 2.326263806e+02 4.090084016e+02 4.922489452e+02 4.922645478e+02 1.716415361e+02 2.665543600e+02 4.310976856e+02 1.688650412e+02 2.781061268e+02 1.12 4.351147626e+02 2.059748484e+02 3.616745898e+02 4.351242117e+02 4.351375976e+02 1.518686812e+02 2.358810558e+02 3.811671150e+02 1.495334565e+02 2.460390302e+02 1.14 3.855506427e+02 1.828324251e+02 3.205971845e+02 3.855610058e+02 3.855732043e+02 1.347025259e+02 2.092534577e+02 3.378384678e+02 1.327459019e+02 2.182019243e+02 1.16 3.424340498e+02 1.626826053e+02 2.848570229e+02 3.424461269e+02 3.424574587e+02 1.197594932e+02 1.860752510e+02 3.001423265e+02 1.181287376e+02 1.939741739e+02 1.18 3.048315883e+02 1.450943111e+02 2.536809697e+02 3.048450003e+02 3.048560348e+02 1.067195146e+02 1.658473400e+02 2.672639671e+02 1.053684648e+02 1.728363555e+02 1.20 2.719592220e+02 1.297051905e+02 2.264191859e+02 2.719725048e+02 2.719832760e+02 9.531274332e+01 1.481517447e+02 2.385170055e+02 9.420165095e+01 1.543496966e+02 1.22 2.431543238e+02 1.162064970e+02 2.025255579e+02 2.431661843e+02 2.431760179e+02 8.531172021e+01 1.326349554e+02 2.133234978e+02 8.440580993e+01 1.381426532e+02 1.24 2.178559147e+02 1.043388224e+02 1.815382099e+02 2.178653431e+02 2.178736617e+02 7.652422998e+01 1.189975849e+02 1.911936548e+02 7.579197915e+01 1.239005758e+02 1.26 1.955886099e+02 9.388102083e+01 1.630619096e+02 1.955948112e+02 1.956014818e+02 6.878553345e+01 1.069851079e+02 1.717119428e+02 6.820014228e+01 1.113571141e+02 1.28 1.759464234e+02 8.464393288e+01 1.467596349e+02 1.759497033e+02 1.759549621e+02 6.195494227e+01 9.638011434e+01 1.545231330e+02 6.149313064e+01 1.002859388e+02 1.30 1.585818962e+02 7.646784491e+01 1.323440348e+02 1.585838633e+02 1.585880057e+02 5.591108276e+01 8.699823890e+01 1.393247723e+02 5.555496731e+01 9.049368660e+01 1.32 1.431995526e+02 6.921684226e+01 1.195712247e+02 1.432012621e+02 1.432044550e+02 5.055202618e+01 7.868192797e+01 1.258588398e+02 5.028698118e+01 8.181411178e+01 1.34 1.295465563e+02 6.277304580e+01 1.082318126e+02 1.295478976e+02 1.295503162e+02 4.579106730e+01 7.129511547e+01 1.139036040e+02 4.560431104e+01 7.410527365e+01 1.36 1.174037971e+02 5.703409330e+01 9.814298978e+01 1.174055097e+02 1.174076577e+02 4.155238554e+01 6.472114603e+01 1.032688187e+02 4.143375603e+01 6.724350223e+01 1.38 1.065840757e+02 5.191353468e+01 8.914979715e+01 1.065867920e+02 1.065892582e+02 3.777142162e+01 5.885855811e+01 9.379063038e+01 3.771270121e+01 6.112380909e+01 1.40 9.692601932e+01 4.733663975e+01 8.111889245e+01 9.693002915e+01 9.693324682e+01 3.439244880e+01 5.361967924e+01 8.532830019e+01 3.438603771e+01 5.565608214e+01 1.42 8.829032599e+01 4.323757845e+01 7.393511409e+01 8.829510277e+01 8.829881758e+01 3.136745338e+01 4.892896783e+01 7.776013532e+01 3.140606849e+01 5.076250308e+01 1.44 8.055474972e+01 3.955899236e+01 6.749872713e+01 8.056014262e+01 8.056421501e+01 2.865494802e+01 4.472178547e+01 7.097931844e+01 2.873210639e+01 4.637570262e+01 1.46 7.361293216e+01 3.625236912e+01 6.172189827e+01 7.361898755e+01 7.362322158e+01 2.621882252e+01 4.094206399e+01 6.489371370e+01 2.632869209e+01 4.243713521e+01 1.48 6.737383925e+01 3.327556266e+01 5.652753387e+01 6.737990196e+01 6.738397567e+01 2.402708551e+01 3.754108672e+01 5.942335738e+01 2.416483218e+01 3.889541148e+01 1.50 6.175806711e+01 3.059177574e+01 5.184963804e+01 6.176328312e+01 6.176688802e+01 2.205220469e+01 3.447561661e+01 5.449805053e+01 2.221312527e+01 3.570369040e+01 1.52 5.669622241e+01 2.816776574e+01 4.763046772e+01 5.669920667e+01 5.670204713e+01 2.026989693e+01 3.170814041e+01 5.005635244e+01 2.044990701e+01 3.282282383e+01 1.54 5.212635947e+01 2.597392945e+01 4.381871934e+01 5.212642398e+01 5.212831541e+01 1.865815025e+01 2.920589279e+01 4.604415071e+01 1.885474829e+01 3.021848733e+01 1.56 4.799216435e+01 2.398523113e+01 4.037030753e+01 4.799044165e+01 4.799146242e+01 1.719856892e+01 2.693991387e+01 4.241346790e+01 1.740918208e+01 2.785990814e+01 1.58 4.424682865e+01 2.218003950e+01 3.724655856e+01 4.424432180e+01 4.424455898e+01 1.587505018e+01 2.488484956e+01 3.912343578e+01 1.609697505e+01 2.572093204e+01 1.60 4.084904437e+01 2.053923157e+01 3.441310277e+01 4.084634499e+01 4.084594582e+01 1.467341512e+01 2.301839527e+01 3.613751103e+01 1.490409753e+01 2.377849627e+01 1.62 3.776163521e+01 1.904568456e+01 3.183836223e+01 3.775965654e+01 3.775897113e+01 1.358099699e+01 2.132007546e+01 3.342395647e+01 1.381814656e+01 2.201200877e+01 1.64 3.495260002e+01 1.768427299e+01 2.949379112e+01 3.495150518e+01 3.495064476e+01 1.258576011e+01 1.977221904e+01 3.095435299e+01 1.282771548e+01 2.040355476e+01 1.66 3.239372429e+01 1.644101873e+01 2.735575050e+01 3.239331237e+01 3.239234074e+01 1.167780185e+01 1.835974815e+01 2.870350899e+01 1.192300067e+01 1.893730926e+01 1.68 3.005929474e+01 1.530369085e+01 2.540361715e+01 3.005956961e+01 3.005863793e+01 1.084850454e+01 1.706930119e+01 2.664916960e+01 1.109560136e+01 1.759852713e+01 1.70 2.792665238e+01 1.426190374e+01 2.361889952e+01 2.792777944e+01 2.792709698e+01 1.009002404e+01 1.588901844e+01 2.477183208e+01 1.033800202e+01 1.637427396e+01 1.72 2.597614683e+01 1.330654448e+01 2.198494991e+01 2.597815734e+01 2.597792441e+01 9.395169899e+00 1.480830842e+01 2.305432516e+01 9.643233668e+00 1.525353430e+01 1.74 2.419029269e+01 1.242949862e+01 2.048731248e+01 2.419277604e+01 2.419318447e+01 8.757898955e+00 1.381744411e+01 2.148113799e+01 9.005028791e+00 1.422650134e+01 1.76 2.255289713e+01 1.162352972e+01 1.911311630e+01 2.255567804e+01 2.255691170e+01 8.172834740e+00 1.290780680e+01 2.003810032e+01 8.417974927e+00 1.328382024e+01 1.78 2.104955827e+01 1.088217460e+01 1.785087497e+01 2.105264500e+01 2.105479592e+01 7.635176876e+00 1.207191264e+01 1.871274047e+01 7.877206807e+00 1.241718711e+01 1.80 1.966789420e+01 1.019940471e+01 1.669032294e+01 1.967088441e+01 1.967363079e+01 7.140633091e+00 1.130262595e+01 1.749403255e+01 7.378546262e+00 1.161966559e+01 1.82 1.839682643e+01 9.569463826e+00 1.562227285e+01 1.839927850e+01 1.840225627e+01 6.685359916e+00 1.059360210e+01 1.637214664e+01 6.918261420e+00 1.088504669e+01 1.84 1.722634252e+01 8.987505240e+00 1.463841397e+01 1.722787486e+01 1.723074816e+01 6.265872434e+00 9.939491380e+00 1.533825856e+01 6.493005454e+00 1.020769266e+01 1.86 1.614643006e+01 8.449140303e+00 1.373037278e+01 1.614723058e+01 1.614986123e+01 5.878583775e+00 9.335298677e+00 1.438391783e+01 6.099653458e+00 9.581684913e+00 1.88 1.514879655e+01 7.950590758e+00 1.289124894e+01 1.514921448e+01 1.515152553e+01 5.520581154e+00 8.776478435e+00 1.350207473e+01 5.735372331e+00 9.002289209e+00 1.90 1.422630091e+01 7.488521115e+00 1.211511628e+01 1.422667228e+01 1.422858942e+01 5.189383443e+00 8.259000623e+00 1.268648022e+01 5.397735932e+00 8.465509869e+00 1.92 1.337251400e+01 7.059924693e+00 1.139663771e+01 1.337303227e+01 1.337448377e+01 4.882754805e+00 7.779138524e+00 1.193150693e+01 5.084419400e+00 7.967748095e+00 1.94 1.258164039e+01 6.662087613e+00 1.073100049e+01 1.258216404e+01 1.258308060e+01 4.598677825e+00 7.333552881e+00 1.123208084e+01 4.793354338e+00 7.505758415e+00 1.96 1.184838091e+01 6.292419972e+00 1.011358513e+01 1.184879161e+01 1.184914056e+01 4.335055630e+00 6.919090064e+00 1.058357548e+01 4.522764661e+00 7.076473202e+00 1.98 1.116785822e+01 5.948400515e+00 9.539860424e+00 1.116811838e+01 1.116794468e+01 4.089636306e+00 6.533165555e+00 9.981749802e+00 4.271043095e+00 6.676941477e+00 2.00 1.053579805e+01 5.628021863e+00 9.006278970e+00 1.053587421e+01 1.053522401e+01 3.860934365e+00 6.173503178e+00 9.422857942e+00 4.036733273e+00 6.304768962e+00 2.02 9.948334622e+00 5.329400749e+00 8.509649396e+00 9.948194426e+00 9.947112110e+00 3.647625891e+00 5.838038599e+00 8.903221068e+00 3.818513898e+00 5.957797366e+00 2.04 9.401962610e+00 5.050579675e+00 8.047077691e+00 9.401553377e+00 9.400081717e+00 3.448510189e+00 5.524810708e+00 8.419488709e+00 3.615159079e+00 5.634069014e+00 2.06 8.893499868e+00 4.789806887e+00 7.615936463e+00 8.892614534e+00 8.890794746e+00 3.262497048e+00 5.232074372e+00 7.968678850e+00 3.425421346e+00 5.331806123e+00 2.08 8.420051459e+00 4.545365356e+00 7.213837648e+00 8.418459742e+00 8.416331931e+00 3.088595442e+00 4.958289115e+00 7.547867387e+00 3.248104081e+00 5.049392398e+00 2.10 7.978094730e+00 4.316044212e+00 6.838608252e+00 7.975908313e+00 7.973622604e+00 2.925903474e+00 4.702052776e+00 7.154374724e+00 3.082091055e+00 4.785356683e+00 2.12 7.564562264e+00 4.100745127e+00 6.488268771e+00 7.562151701e+00 7.559940714e+00 2.773599441e+00 4.462087633e+00 6.786083980e+00 2.926574099e+00 4.538358407e+00 2.14 7.177320225e+00 3.898466150e+00 6.160920621e+00 7.175020401e+00 7.173085692e+00 2.630933865e+00 4.237226501e+00 6.441123710e+00 2.780764994e+00 4.307174620e+00 2.16 6.814422948e+00 3.708292224e+00 5.854348943e+00 6.812415285e+00 6.810809338e+00 2.497222391e+00 4.026325113e+00 6.117786885e+00 2.643858832e+00 4.090688433e+00 2.18 6.474094516e+00 3.529386723e+00 5.566972256e+00 6.472530383e+00 6.471279828e+00 2.371839447e+00 3.828353222e+00 5.814514814e+00 2.515238080e+00 3.887878695e+00 2.20 6.154712293e+00 3.360983883e+00 5.297244074e+00 6.153690212e+00 6.152820825e+00 2.254116614e+00 3.642247058e+00 5.529882777e+00 2.394343896e+00 3.697810765e+00 2.22 5.854792195e+00 3.202382037e+00 5.043427421e+00 5.854281708e+00 5.853818447e+00 2.143280833e+00 3.467149073e+00 5.262467761e+00 2.280664033e+00 3.519628256e+00 2.24 5.572975505e+00 3.052937550e+00 4.804381612e+00 5.572940450e+00 5.572907486e+00 2.038848703e+00 3.302321549e+00 5.010961397e+00 2.173728439e+00 3.352545642e+00 2.26 5.307955486e+00 2.912059387e+00 4.579086801e+00 5.308376236e+00 5.308796987e+00 1.940389577e+00 3.147087503e+00 4.774276282e+00 2.073082128e+00 3.195656946e+00 2.28 5.058433356e+00 2.779204229e+00 4.366607651e+00 5.059330513e+00 5.060227671e+00 1.847508119e+00 3.000825039e+00 4.551414729e+00 1.978200988e+00 3.047829536e+00 2.30 4.823358885e+00 2.653872097e+00 4.166085497e+00 4.824754444e+00 4.826150004e+00 1.759841050e+00 2.862962278e+00 4.341460462e+00 1.888649585e+00 2.908449146e+00 2.32 4.601774755e+00 2.535602402e+00 3.976731305e+00 4.603671467e+00 4.605568180e+00 1.677054216e+00 2.732972793e+00 4.143571160e+00 1.803990176e+00 2.776973860e+00 2.34 4.392800502e+00 2.423970406e+00 3.797819336e+00 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