# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # 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 3.522874294e+02 nan nan nan nan 0.80 nan nan nan nan nan 3.283730308e+02 nan nan nan nan 0.82 nan nan nan nan nan 3.064231975e+02 nan nan 5.236620762e+02 nan 0.84 nan nan nan nan nan 2.862383768e+02 nan nan 4.885916637e+02 nan 0.86 nan nan nan nan nan 2.676432823e+02 nan nan 4.571611526e+02 nan 0.88 nan nan nan nan nan 2.504835004e+02 nan nan 4.287647138e+02 nan 0.90 nan 2.044608024e+03 nan nan nan 2.346223371e+02 nan nan 4.029060999e+02 4.410746337e+02 0.92 nan 1.898543744e+03 nan nan nan 2.198125322e+02 3.932675868e+02 nan 3.790887523e+02 4.144605537e+02 0.94 nan 1.761775010e+03 nan nan nan 2.056458919e+02 3.646495817e+02 nan 3.567643169e+02 3.890388990e+02 0.96 nan 1.633839488e+03 nan nan nan 1.921603810e+02 3.386438592e+02 nan 3.357751982e+02 3.648543675e+02 0.98 nan 1.514280259e+03 4.818205005e+02 nan nan 1.793853442e+02 3.149548461e+02 nan 3.160021714e+02 3.419394116e+02 1.00 nan 1.402644018e+03 4.521052224e+02 nan 7.300211450e+02 1.673232494e+02 2.933085724e+02 7.061803555e+02 2.973410319e+02 3.202868125e+02 1.02 6.873300376e+02 1.298487566e+03 4.240576799e+02 6.868059887e+02 6.862819399e+02 1.559594807e+02 2.734585354e+02 6.602215508e+02 2.797019173e+02 2.998643327e+02 1.04 6.459928334e+02 1.201381783e+03 3.976142441e+02 6.454974387e+02 6.450020440e+02 1.452691683e+02 2.551877909e+02 6.174010470e+02 2.630079090e+02 2.806249252e+02 1.06 6.070052639e+02 1.110913875e+03 3.727008593e+02 6.065369847e+02 6.060687056e+02 1.352218553e+02 2.383085587e+02 5.774767936e+02 2.471933314e+02 2.625137012e+02 1.08 5.702480873e+02 1.026688505e+03 3.492392179e+02 5.698054666e+02 5.693628458e+02 1.257846063e+02 2.226603099e+02 5.402240292e+02 2.322019999e+02 2.454725614e+02 1.10 5.356016836e+02 9.483281962e+02 3.271507212e+02 5.351833413e+02 5.347649990e+02 1.169240076e+02 2.081070346e+02 5.054367610e+02 2.179855661e+02 2.294431678e+02 1.12 5.029496618e+02 8.754732941e+02 3.063588857e+02 5.025542911e+02 5.021589204e+02 1.086073894e+02 1.945341675e+02 4.729277659e+02 2.045020291e+02 2.143687487e+02 1.14 4.721808689e+02 8.077816549e+02 2.867906840e+02 4.718072323e+02 4.714335958e+02 1.008035130e+02 1.818454880e+02 4.425276857e+02 1.917144480e+02 2.001951053e+02 1.16 4.431903266e+02 7.449281927e+02 2.683771697e+02 4.428372523e+02 4.424841781e+02 9.348290085e+01 1.699601877e+02 4.140836130e+02 1.795898582e+02 1.868710809e+02 1.18 4.158794774e+02 6.866043526e+02 2.510536433e+02 4.155458559e+02 4.152122344e+02 8.661793409e+01 1.588102120e+02 3.874574438e+02 1.680983814e+02 1.743486859e+02 1.20 3.901560095e+02 6.325175571e+02 2.347595362e+02 3.898407902e+02 3.895255710e+02 8.018280989e+01 1.483379245e+02 3.625241771e+02 1.572125122e+02 1.625830114e+02 1.22 3.659334454e+02 5.823906494e+02 2.194381376e+02 3.656356337e+02 3.653378219e+02 7.415341830e+01 1.384941049e+02 3.391702768e+02 1.469065570e+02 1.515320248e+02 1.24 3.431306221e+02 5.359613469e+02 2.050362491e+02 3.428492761e+02 3.425679301e+02 6.850718265e+01 1.292362671e+02 3.172921637e+02 1.371562056e+02 1.411563118e+02 1.26 3.216711441e+02 4.929817081e+02 1.915038206e+02 3.214053723e+02 3.211396004e+02 6.322288995e+01 1.205272715e+02 2.967948721e+02 1.279382110e+02 1.314188033e+02 1.28 3.014828606e+02 4.532176149e+02 1.787936035e+02 3.012318189e+02 3.009807771e+02 5.828052861e+01 1.123341982e+02 2.775908836e+02 1.192301586e+02 1.222845162e+02 1.30 2.824973964e+02 4.164482658e+02 1.668608382e+02 2.822602857e+02 2.820231749e+02 5.366114337e+01 1.046274472e+02 2.595991366e+02 1.110103077e+02 1.137203190e+02 1.32 2.646497484e+02 3.824656789e+02 1.556629864e+02 2.644258122e+02 2.642018761e+02 4.934671163e+01 9.738003044e+01 2.427441981e+02 1.032574879e+02 1.056947324e+02 1.34 2.478779530e+02 3.510742011e+02 1.451595102e+02 2.476664755e+02 2.474549979e+02 4.532004257e+01 9.056702444e+01 2.269555839e+02 9.595103921e+01 9.817776300e+01 1.36 2.321228209e+02 3.220900214e+02 1.353116957e+02 2.319231242e+02 2.317234276e+02 4.156469831e+01 8.416515523e+01 2.121672060e+02 8.907078351e+01 9.114077257e+01 1.38 2.173277314e+02 2.953406864e+02 1.260825175e+02 2.171391741e+02 2.169506167e+02 3.806493437e+01 7.815248901e+01 1.983169290e+02 8.259701906e+01 8.455637586e+01 1.40 2.034384790e+02 2.706646177e+02 1.174365367e+02 2.032604539e+02 2.030824288e+02 3.480565709e+01 7.250820777e+01 1.853462168e+02 7.651053060e+01 7.839836510e+01 1.42 1.904031625e+02 2.479106303e+02 1.093398275e+02 1.902350949e+02 1.900670274e+02 3.177239462e+01 6.721245101e+01 1.731998519e+02 7.079260906e+01 7.264165540e+01 1.44 1.781721062e+02 2.269374536e+02 1.017599261e+02 1.780134524e+02 1.778547985e+02 2.895127830e+01 6.224620777e+01 1.618257127e+02 6.542507661e+01 6.726224643e+01 1.46 1.666978064e+02 2.076132550e+02 9.466579530e+01 1.665480517e+02 1.663982969e+02 2.632903205e+01 5.759124669e+01 1.511745946e+02 6.039031338e+01 6.223719653e+01 1.48 1.559348946e+02 1.898151677e+02 8.802780062e+01 1.557935519e+02 1.556522092e+02 2.389296676e+01 5.323007338e+01 1.412000647e+02 5.567128351e+01 5.754460513e+01 1.50 1.458401104e+02 1.734288245e+02 8.181769321e+01 1.457067189e+02 1.455733275e+02 2.163097789e+01 4.914590686e+01 1.318583405e+02 5.125155838e+01 5.316360025e+01 1.52 1.363722810e+02 1.583478990e+02 7.600859647e+01 1.362464046e+02 1.361205283e+02 1.953154447e+01 4.532266875e+01 1.231081846e+02 4.711533611e+01 4.907432885e+01 1.54 1.274923001e+02 1.444736531e+02 7.057499303e+01 1.273735263e+02 1.272547525e+02 1.758372804e+01 4.174497994e+01 1.149108110e+02 4.324744786e+01 4.525794736e+01 1.56 1.191631062e+02 1.317144382e+02 6.549271041e+01 1.190510446e+02 1.189389829e+02 1.577717065e+01 3.839816102e+01 1.072297972e+02 3.963328136e+01 4.169661128e+01 1.58 1.113496554e+02 1.199851567e+02 6.073890391e+01 1.112439366e+02 1.111382178e+02 1.410209109e+01 3.526823385e+01 1.000309991e+02 3.625871675e+01 3.837346265e+01 1.60 1.040188891e+02 1.092068509e+02 5.629203542e+01 1.039191637e+02 1.038194383e+02 1.254927894e+01 3.234192200e+01 9.328246777e+01 3.311014635e+01 3.527261446e+01 1.62 9.713969499e+01 9.930633302e+01 5.213184799e+01 9.704563249e+01 9.695156999e+01 1.111008613e+01 2.960664906e+01 8.695436456e+01 3.017449674e+01 3.237913187e+01 1.64 9.068286121e+01 9.021582874e+01 4.823933584e+01 9.059414893e+01 9.050543665e+01 9.776416091e+00 2.705053393e+01 8.101887576e+01 2.743924480e+01 2.967901000e+01 1.66 8.462102375e+01 8.187263500e+01 4.459670978e+01 8.453736592e+01 8.445370810e+01 8.540710314e+00 2.466238249e+01 7.545012483e+01 2.489242799e+01 2.715914828e+01 1.68 7.892860778e+01 7.421879114e+01 4.118735864e+01 7.884972466e+01 7.877084155e+01 7.395932727e+00 2.243167596e+01 7.022408330e+01 2.252264945e+01 2.480732177e+01 1.70 7.358176345e+01 6.720072536e+01 3.799580688e+01 7.350739046e+01 7.343301746e+01 6.335551984e+00 2.034855568e+01 6.531848022e+01 2.031907822e+01 2.261214966e+01 1.72 6.855829672e+01 6.076880898e+01 3.500766902e+01 6.848818361e+01 6.841807049e+01 5.353521924e+00 1.840380468e+01 6.071271046e+01 1.827144517e+01 2.056306129e+01 1.74 6.383759666e+01 5.487703556e+01 3.220960158e+01 6.377150678e+01 6.370541690e+01 4.444260679e+00 1.658882656e+01 5.638774273e+01 1.637003528e+01 1.865026037e+01 1.76 5.940055960e+01 4.948278420e+01 2.958925296e+01 5.933826916e+01 5.927597873e+01 3.602628519e+00 1.489562178e+01 5.232602756e+01 1.460567658e+01 1.686468765e+01 1.78 5.522951120e+01 4.454659695e+01 2.713521191e+01 5.517080859e+01 5.511210597e+01 2.823904881e+00 1.331676031e+01 4.851140606e+01 1.296972641e+01 1.519798246e+01 1.80 5.130812757e+01 4.003196858e+01 2.483695535e+01 5.125281268e+01 5.119749780e+01 2.103764899e+00 1.184532742e+01 4.492901988e+01 1.145405545e+01 1.364244379e+01 1.82 4.762135561e+01 3.590514784e+01 2.268479568e+01 4.756923926e+01 4.751712291e+01 1.438255543e+00 1.047486319e+01 4.156522260e+01 1.005102987e+01 1.219099101e+01 1.84 4.415533387e+01 3.213495015e+01 2.066982836e+01 4.410623718e+01 4.405714050e+01 8.237717769e-01 9.199337345e+00 3.840746267e+01 8.753492120e+00 1.083712475e+01 1.86 4.089731423e+01 2.869258087e+01 1.878388012e+01 4.085106810e+01 4.080482198e+01 2.570328676e-01 8.013128581e+00 3.544405974e+01 7.554740614e+00 9.574888248e+00 1.88 3.783558375e+01 2.555146892e+01 1.701945715e+01 3.779202832e+01 3.774847289e+01 -2.649413738e-01 6.911002988e+00 3.266407503e+01 6.448508393e+00 8.398828688e+00 1.90 3.495931975e+01 2.268710155e+01 1.536964893e+01 3.491830391e+01 3.487728807e+01 -7.448767183e-01 5.888069280e+00 3.005723957e+01 5.428924156e+00 7.303925241e+00 1.92 3.225832803e+01 2.007685375e+01 1.382795393e+01 3.221970894e+01 3.218108984e+01 -1.185329742e+00 4.939694223e+00 2.761384745e+01 4.490439000e+00 6.285458551e+00 1.94 2.972294534e+01 1.769978648e+01 1.238821502e+01 2.968658799e+01 2.965023065e+01 -1.588718354e+00 4.061472123e+00 2.532470484e+01 3.627670771e+00 5.338962430e+00 1.96 2.734401201e+01 1.553637807e+01 1.104460147e+01 2.730978882e+01 2.727556563e+01 -1.957329081e+00 3.249217009e+00 2.318110356e+01 2.835406462e+00 4.460210550e+00 1.98 2.511284658e+01 1.356862569e+01 9.791592345e+00 2.508063697e+01 2.504842736e+01 -2.293323761e+00 2.498954907e+00 2.117479623e+01 2.108762929e+00 3.645204152e+00 2.00 2.302122169e+01 1.177998846e+01 8.623960769e+00 2.299091171e+01 2.296060173e+01 -2.598745908e+00 1.806916053e+00 1.929797274e+01 1.443176055e+00 2.890160367e+00 2.02 2.106134121e+01 1.015527511e+01 7.536758914e+00 2.103282318e+01 2.100430516e+01 -2.875526748e+00 1.169527073e+00 1.754323798e+01 8.343805794e-01 2.191501147e+00 2.04 1.922581841e+01 8.680539565e+00 6.525303751e+00 1.919899061e+01 1.917216281e+01 -3.125490986e+00 5.834031505e-01 1.590359071e+01 2.783911570e-01 1.545842708e+00 2.06 1.750765529e+01 7.342984083e+00 5.585163524e+00 1.748242159e+01 1.745718790e+01 -3.350362272e+00 4.534025870e-02 1.437240345e+01 -2.285153965e-01 9.499855253e-01 2.08 1.590022291e+01 6.130869274e+00 4.712144894e+00 1.587649252e+01 1.585276213e+01 -3.551768399e+00 -4.476925184e-01 1.294340349e+01 -6.898167638e-01 4.009048325e-01 2.10 1.439724265e+01 5.033430631e+00 3.902280695e+00 1.437492978e+01 1.435261691e+01 -3.731246256e+00 -8.985605699e-01 1.161065473e+01 -1.108760766e+00 -1.042584302e-01 2.12 1.299276845e+01 4.040752738e+00 3.151818335e+00 1.297179208e+01 1.295081571e+01 -3.890246525e+00 -1.309971180e+00 1.036854057e+01 -1.488380025e+00 -5.682061870e-01 2.14 1.168116990e+01 3.143465528e+00 2.457208760e+00 1.166145349e+01 1.164173708e+01 -4.030138151e+00 -1.684480799e+00 9.211747516e+00 -1.831505724e+00 -9.934913811e-01 2.16 1.045711617e+01 2.332923081e+00 1.815095954e+00 1.043858744e+01 1.042005871e+01 -4.152212598e+00 -2.024502128e+00 8.135249672e+00 -2.140780526e+00 -1.382525728e+00 2.18 9.315560744e+00 1.601262487e+00 1.222306997e+00 9.298151435e+00 9.280742126e+00 -4.257687877e+00 -2.332311007e+00 7.134294004e+00 -2.418670675e+00 -1.737587057e+00 2.20 8.251726910e+00 9.413351617e-01 6.758425868e-01 8.235372560e+00 8.219018211e+00 -4.347712395e+00 -2.610053092e+00 6.204386300e+00 -2.667477357e+00 -2.060826308e+00 2.22 7.261093962e+00 3.466435535e-01 1.728680499e-01 7.245733706e+00 7.230373450e+00 -4.423368596e+00 -2.859750416e+00 5.341277838e+00 -2.889347359e+00 -2.354274164e+00 2.24 6.339384109e+00 -1.887168620e-01 -2.892951890e-01 6.324960479e+00 6.310536849e+00 -4.485676427e+00 -3.083341704e+00 4.540952716e+00 -3.086283047e+00 -2.619847347e+00 2.26 5.482550000e+00 -6.701107267e-01 -7.131777310e-01 5.469008742e+00 5.455467484e+00 -4.535596634e+00 -3.282728968e+00 3.799615807e+00 -3.260151738e+00 -2.859354603e+00 2.28 4.686762902e+00 -1.102411444e+00 -1.101169903e+00 4.674052799e+00 4.661342697e+00 -4.574033890e+00 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