# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1992--Ackland-G-J--Ti # implementation = 1992--Ackland-G-J--Ti--LAMMPS--ipr1 # composition = Ti # 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 4.207761441e+02 nan 0.68 nan nan nan nan nan nan nan nan 3.822790123e+02 nan 0.70 nan nan nan nan nan nan nan nan 3.481518931e+02 nan 0.72 nan nan nan nan nan 2.724832830e+02 nan nan 3.177256159e+02 nan 0.74 nan nan nan nan nan 2.488756718e+02 nan nan 2.904431378e+02 nan 0.76 nan nan nan nan nan 2.276579879e+02 nan nan 2.658902666e+02 nan 0.78 nan nan nan nan nan 2.085380257e+02 nan nan 2.438282996e+02 nan 0.80 nan nan nan nan nan 1.913048212e+02 nan nan 2.239765379e+02 nan 0.82 nan 2.844997154e+02 nan 4.141437440e+02 4.141251610e+02 1.757745032e+02 nan nan 2.060572076e+02 2.846819268e+02 0.84 nan 2.626999671e+02 nan 3.832102786e+02 3.831937707e+02 1.617285085e+02 2.669495406e+02 nan 1.898493704e+02 2.628347530e+02 0.86 nan 2.428960118e+02 nan 3.551576640e+02 3.551656030e+02 1.488891214e+02 2.468331018e+02 nan 1.751164176e+02 2.429628504e+02 0.88 nan 2.248627435e+02 nan 3.296129290e+02 3.296460301e+02 1.371699587e+02 2.285045068e+02 nan 1.616639626e+02 2.248929695e+02 0.90 nan 2.083970146e+02 nan 3.062730127e+02 3.063078475e+02 1.265022794e+02 2.117505446e+02 nan 1.493683972e+02 2.084792778e+02 0.92 nan 1.933398476e+02 2.593722337e+02 2.849050482e+02 2.849064555e+02 1.167956603e+02 1.964478921e+02 2.670378110e+02 1.381356612e+02 1.935068887e+02 0.94 2.654134524e+02 1.795431342e+02 2.415128120e+02 2.653503711e+02 2.653253809e+02 1.079319898e+02 1.824740279e+02 2.486690090e+02 1.278561610e+02 1.797567723e+02 0.96 2.475244937e+02 1.668930416e+02 2.250813613e+02 2.474051833e+02 2.473687834e+02 9.982437546e+01 1.696817007e+02 2.317525625e+02 1.184299367e+02 1.671410507e+02 0.98 2.309803739e+02 1.552646746e+02 2.099301828e+02 2.308896976e+02 2.308549606e+02 9.237598302e+01 1.579430227e+02 2.161385997e+02 1.097771524e+02 1.555147670e+02 1.00 2.157075776e+02 1.445531367e+02 1.959509240e+02 2.156851798e+02 2.156703608e+02 8.551972190e+01 1.471352010e+02 2.017353472e+02 1.018094877e+02 1.447425969e+02 1.02 2.015903926e+02 1.346473121e+02 1.829929599e+02 2.016696595e+02 2.016844744e+02 7.917844779e+01 1.371210528e+02 1.884621897e+02 9.445818610e+01 1.348063403e+02 1.04 1.885897374e+02 1.255042151e+02 1.710074641e+02 1.887071249e+02 1.887451900e+02 7.331386689e+01 1.278236935e+02 1.762440769e+02 8.766493160e+01 1.256657001e+02 1.06 1.765854693e+02 1.170694889e+02 1.599333267e+02 1.766774009e+02 1.767258903e+02 6.792661190e+01 1.192151693e+02 1.649566721e+02 8.137934639e+01 1.172522928e+02 1.08 1.654927481e+02 1.092825259e+02 1.497145087e+02 1.655262083e+02 1.655643372e+02 6.298288406e+01 1.112715968e+02 1.545043281e+02 7.556282330e+01 1.094639228e+02 1.10 1.552219087e+02 1.020386861e+02 1.403117973e+02 1.551934150e+02 1.552024660e+02 5.843900189e+01 1.039162778e+02 1.448236861e+02 7.016737493e+01 1.022218051e+02 1.12 1.456808494e+02 9.529899961e+01 1.316092310e+02 1.456110080e+02 1.455946264e+02 5.422756982e+01 9.708779022e+01 1.358279884e+02 6.514692261e+01 9.548109232e+01 1.14 1.367931947e+02 8.902005230e+01 1.234848410e+02 1.367135818e+02 1.366831121e+02 5.027483451e+01 9.073332026e+01 1.274454471e+02 6.047447899e+01 8.921180862e+01 1.16 1.284824273e+02 8.317170565e+01 1.158893340e+02 1.284257988e+02 1.283895667e+02 4.655563212e+01 8.481566672e+01 1.196132971e+02 5.612835326e+01 8.337196269e+01 1.18 1.207151391e+02 7.774072155e+01 1.087874920e+02 1.206887999e+02 1.206521820e+02 4.305731798e+01 7.930926327e+01 1.123025987e+02 5.210646209e+01 7.791064318e+01 1.20 1.134653873e+02 7.268139679e+01 1.021458647e+02 1.134593900e+02 1.134309561e+02 3.978847505e+01 7.416487340e+01 1.054743672e+02 4.838788495e+01 7.278441848e+01 1.22 1.066931439e+02 6.793828878e+01 9.590886957e+01 1.067051691e+02 1.066934242e+02 3.673058935e+01 6.933876852e+01 9.909121872e+01 4.494540796e+01 6.797827000e+01 1.24 1.003562448e+02 6.349248003e+01 9.006792394e+01 1.003913090e+02 1.003998888e+02 3.387261835e+01 6.480060800e+01 9.312182993e+01 4.175221494e+01 6.348548731e+01 1.26 9.443220240e+01 5.932528834e+01 8.462677040e+01 9.447917833e+01 9.450214958e+01 3.121799011e+01 6.053248478e+01 8.753970812e+01 3.877431537e+01 5.932447981e+01 1.28 8.887482790e+01 5.540794566e+01 7.954511104e+01 8.892467781e+01 8.895199567e+01 2.875587899e+01 5.653688264e+01 8.231529974e+01 3.598926387e+01 5.547387023e+01 1.30 8.365247912e+01 5.173042682e+01 7.478052815e+01 8.369717174e+01 8.372436046e+01 2.647532192e+01 5.281184454e+01 7.741260805e+01 3.339119288e+01 5.190090307e+01 1.32 7.875224430e+01 4.829789257e+01 7.028676845e+01 7.877922233e+01 7.880233102e+01 2.435573137e+01 4.934195742e+01 7.281215953e+01 3.096511779e+01 4.856737846e+01 1.34 7.416941761e+01 4.509832522e+01 6.604481952e+01 7.416102374e+01 7.417588465e+01 2.237698845e+01 4.611019829e+01 6.848979608e+01 2.869366962e+01 4.543777591e+01 1.36 6.986792255e+01 4.210498567e+01 6.206143247e+01 6.982508886e+01 6.983137756e+01 2.053121309e+01 4.309709757e+01 6.441407135e+01 2.656162351e+01 4.248283239e+01 1.38 6.580483037e+01 3.929094129e+01 5.832287990e+01 6.574471951e+01 6.574427958e+01 1.880879895e+01 4.028886300e+01 6.056300946e+01 2.456165888e+01 3.970764886e+01 1.40 6.193843262e+01 3.665365713e+01 5.480943165e+01 6.189557707e+01 6.189199887e+01 1.720625219e+01 3.766479977e+01 5.691952715e+01 2.268081822e+01 3.709892581e+01 1.42 5.827316569e+01 3.419537961e+01 5.150359656e+01 5.826280796e+01 5.825721483e+01 1.572545771e+01 3.520355989e+01 5.348105150e+01 2.090361553e+01 3.465174668e+01 1.44 5.482288974e+01 3.189794344e+01 4.837464480e+01 5.483496605e+01 5.482688808e+01 1.435428043e+01 3.288982447e+01 5.024123274e+01 1.922627964e+01 3.236190135e+01 1.46 5.156608279e+01 2.973885358e+01 4.539750666e+01 5.159367759e+01 5.158444729e+01 1.307763523e+01 3.070712839e+01 4.718872962e+01 1.764442074e+01 3.021135115e+01 1.48 4.849490427e+01 2.770174811e+01 4.256268679e+01 4.852751421e+01 4.851695861e+01 1.188153735e+01 2.865059219e+01 4.431935441e+01 1.615011113e+01 2.818647954e+01 1.50 4.560686880e+01 2.577530610e+01 3.988850026e+01 4.563557222e+01 4.562563388e+01 1.076751752e+01 2.672425539e+01 4.161874328e+01 1.474103336e+01 2.627293446e+01 1.52 4.288450035e+01 2.395976903e+01 3.738336402e+01 4.291034990e+01 4.290635046e+01 9.737489579e+00 2.491828694e+01 3.907986465e+01 1.341645428e+01 2.445334491e+01 1.54 4.032016188e+01 2.226043901e+01 3.503717812e+01 4.034249771e+01 4.034722073e+01 8.784237545e+00 2.321864161e+01 3.669562867e+01 1.216853939e+01 2.272467774e+01 1.56 3.791194258e+01 2.067170030e+01 3.284297572e+01 3.792368938e+01 3.793582065e+01 7.904422908e+00 2.161127348e+01 3.445527474e+01 1.099053380e+01 2.109001420e+01 1.58 3.564649820e+01 1.918252147e+01 3.079784185e+01 3.564183490e+01 3.565756597e+01 7.099735710e+00 2.008518534e+01 3.234311808e+01 9.881719162e+00 1.954127558e+01 1.60 3.350665742e+01 1.778085001e+01 2.888999718e+01 3.348824852e+01 3.350224954e+01 6.365159597e+00 1.863412001e+01 3.034616788e+01 8.843291059e+00 1.806739110e+01 1.62 3.148706257e+01 1.645514244e+01 2.710501490e+01 3.145626997e+01 3.146200085e+01 5.693806217e+00 1.725162438e+01 2.845902664e+01 7.874735212e+00 1.666926857e+01 1.64 2.958064554e+01 1.519520127e+01 2.542841418e+01 2.954024711e+01 2.953437680e+01 5.078792828e+00 1.593093012e+01 2.667420574e+01 6.974273807e+00 1.534591226e+01 1.66 2.777303262e+01 1.399997613e+01 2.384572574e+01 2.773262396e+01 2.771816930e+01 4.513258684e+00 1.467279159e+01 2.498481602e+01 6.137145813e+00 1.408844801e+01 1.68 2.605004806e+01 1.287076768e+01 2.234161053e+01 2.602132033e+01 2.600331364e+01 3.989142157e+00 1.347336068e+01 2.338387503e+01 5.358324550e+00 1.288739575e+01 1.70 2.441165442e+01 1.180619220e+01 2.091100155e+01 2.440073172e+01 2.438300329e+01 3.502082013e+00 1.232657613e+01 2.187247661e+01 4.634018632e+00 1.174369786e+01 1.72 2.286613984e+01 1.080434134e+01 1.955575848e+01 2.286968537e+01 2.285333082e+01 3.050701219e+00 1.123060192e+01 2.045249839e+01 3.962836980e+00 1.066467002e+01 1.74 2.141093844e+01 9.859599986e+00 1.826736228e+01 2.142198581e+01 2.140725828e+01 2.628209522e+00 1.018325405e+01 1.911818572e+01 3.341764041e+00 9.647997201e+00 1.76 2.004195547e+01 8.964389293e+00 1.703588342e+01 2.005295451e+01 2.003964303e+01 2.227023094e+00 9.184314524e+00 1.786222751e+01 2.768746699e+00 8.689847997e+00 1.78 1.875486643e+01 8.109463350e+00 1.585452971e+01 1.876234276e+01 1.875044032e+01 1.841309215e+00 8.235006212e+00 1.667555170e+01 2.241888934e+00 7.786513535e+00 1.80 1.754302499e+01 7.288821286e+00 1.472444559e+01 1.754540101e+01 1.753508438e+01 1.472598298e+00 7.338881208e+00 1.554836860e+01 1.756685467e+00 6.937300338e+00 1.82 1.639835650e+01 6.500256142e+00 1.365217452e+01 1.639472587e+01 1.638609082e+01 1.127833508e+00 6.496152974e+00 1.447129964e+01 1.308275890e+00 6.143854286e+00 1.84 1.531109788e+01 5.738952493e+00 1.263646368e+01 1.530175347e+01 1.529535114e+01 8.074123802e-01 5.704818875e+00 1.343514349e+01 8.914816546e-01 5.404526917e+00 1.86 1.427108410e+01 5.002679192e+00 1.167310988e+01 1.425749038e+01 1.425421906e+01 5.101611590e-01 4.962859990e+00 1.243626757e+01 5.012087253e-01 4.716787359e+00 1.88 1.326819218e+01 4.293107348e+00 1.075720746e+01 1.325444542e+01 1.325558167e+01 2.345798867e-01 4.268888323e+00 1.147183429e+01 1.342099349e-01 4.078113473e+00 1.90 1.229253306e+01 3.615395796e+00 9.882102437e+00 1.228591061e+01 1.229310179e+01 -2.171535338e-02 3.620410129e+00 1.054196240e+01 -2.098947954e-01 3.485992834e+00 1.92 1.134349412e+01 2.972420564e+00 9.040901864e+00 1.134939948e+01 1.136351020e+01 -2.612215315e-01 3.014154582e+00 9.649862935e+00 -5.291829056e-01 2.937834341e+00 1.94 1.043199162e+01 2.363607670e+00 8.226796644e+00 1.044922538e+01 1.046884961e+01 -4.863575009e-01 2.446687322e+00 8.797393318e+00 -8.242134271e-01 2.429741085e+00 1.96 9.560339774e+00 1.788428432e+00 7.435015085e+00 9.585215546e+00 9.608214874e+00 -6.995146929e-01 1.914714274e+00 7.983254094e+00 -1.096971080e+00 1.957337246e+00 1.98 8.726990021e+00 1.246480132e+00 6.668070674e+00 8.756859866e+00 8.782605016e+00 -9.030669079e-01 1.416040562e+00 7.205694463e+00 -1.348256915e+00 1.516693867e+00 2.00 7.930523789e+00 7.373974839e-01 5.926951679e+00 7.963010120e+00 7.991546181e+00 -1.099258129e+00 9.495060689e-01 6.463001753e+00 -1.579836286e+00 1.104100414e+00 2.02 7.169357560e+00 2.605166561e-01 5.213099826e+00 7.202395883e+00 7.233247033e+00 -1.287844801e+00 5.153677705e-01 5.753290903e+00 -1.794182465e+00 7.158221422e-01 2.04 6.441846244e+00 -1.851651574e-01 4.531663282e+00 6.474654727e+00 6.506773844e+00 -1.466588613e+00 1.132083522e-01 5.076655395e+00 -1.994096312e+00 3.481248276e-01 2.06 5.746607843e+00 -6.008405951e-01 3.882860684e+00 5.778462556e+00 5.810240911e+00 -1.635887308e+00 -2.586161150e-01 4.433382572e+00 -2.182342378e+00 -1.939355965e-03 2.08 5.084231255e+00 -9.883804463e-01 3.265640507e+00 5.113563856e+00 5.142896456e+00 -1.796467031e+00 -6.019398442e-01 3.822188415e+00 -2.360120964e+00 -3.314097913e-01 2.10 4.455729783e+00 -1.349819307e+00 2.679050877e+00 4.479989891e+00 4.504250000e+00 -1.948812510e+00 -9.186291086e-01 3.241402856e+00 -2.527217438e+00 -6.360093010e-01 2.12 3.859793497e+00 -1.687405006e+00 2.121855302e+00 3.876187979e+00 3.892582462e+00 -2.093547066e+00 -1.210479704e+00 2.688714281e+00 -2.683088183e+00 -9.167838553e-01 2.14 3.293953375e+00 -2.003650950e+00 1.592800483e+00 3.301128170e+00 3.308302966e+00 -2.231299689e+00 -1.479245850e+00 2.161767709e+00 -2.828027480e+00 -1.176480462e+00 2.16 2.755708112e+00 -2.300612973e+00 1.090629663e+00 2.754021197e+00 2.752334282e+00 -2.362698228e+00 -1.727048977e+00 1.660051814e+00 -2.963364050e+00 -1.417871728e+00 2.18 2.242566072e+00 -2.579119598e+00 6.141469626e-01 2.233019162e+00 2.223472253e+00 -2.488304936e+00 -1.956404557e+00 1.183395688e+00 -3.089202109e+00 -1.643715035e+00 2.20 1.752047508e+00 -2.840291924e+00 1.631941766e-01 1.736061546e+00 1.720075585e+00 -2.607640797e+00 -2.169618354e+00 7.302556687e-01 -3.205514700e+00 -1.856750934e+00 2.22 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