# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ti # implementation = 2004--Zhou-X-W--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 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 9.719130893e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.820043512e+02 nan 0.84 nan nan nan nan nan nan nan nan 8.013285882e+02 nan 0.86 nan nan nan nan nan 6.291215465e+02 nan nan 7.288019939e+02 nan 0.88 nan nan nan nan nan 5.733991973e+02 nan nan 6.634826744e+02 nan 0.90 nan nan nan nan nan 5.231486393e+02 nan nan 6.045575983e+02 nan 0.92 nan nan nan nan nan 4.777601855e+02 nan nan 5.513266839e+02 nan 0.94 nan nan nan nan nan 4.367026323e+02 nan nan 5.031752451e+02 nan 0.96 nan nan nan nan nan 3.995118701e+02 nan nan 4.595621251e+02 nan 0.98 nan nan nan 9.838022053e+02 9.838195723e+02 3.657832190e+02 nan nan 4.200103263e+02 6.251837616e+02 1.00 nan 5.623433990e+02 nan 9.074444093e+02 9.074613292e+02 3.351536832e+02 nan nan 3.840991218e+02 5.741522042e+02 1.02 nan 5.159674752e+02 nan 8.375852513e+02 8.376031886e+02 3.073002889e+02 5.328156708e+02 nan 3.514539576e+02 5.276098258e+02 1.04 nan 4.736483535e+02 nan 7.735955466e+02 7.736151218e+02 2.819409207e+02 4.896748335e+02 nan 3.217426052e+02 4.851160154e+02 1.06 nan 4.349899568e+02 nan 7.149159795e+02 7.149365550e+02 2.588268208e+02 4.502470398e+02 nan 2.946720034e+02 4.462821381e+02 1.08 nan 3.996428880e+02 nan 6.610447654e+02 6.610639108e+02 2.377381738e+02 4.141777747e+02 nan 2.699839916e+02 4.107612716e+02 1.10 nan 3.672938850e+02 nan 6.115384076e+02 6.115539994e+02 2.184789696e+02 3.811543430e+02 nan 2.474508146e+02 3.782363848e+02 1.12 5.659885899e+02 3.376649859e+02 5.001152566e+02 5.660006376e+02 5.660123579e+02 2.008717614e+02 3.508949482e+02 5.197127756e+02 2.268682413e+02 3.484251712e+02 1.14 5.240725953e+02 3.105068545e+02 4.623435249e+02 5.240756837e+02 5.240848702e+02 1.847578370e+02 3.231460153e+02 4.806999970e+02 2.080542908e+02 3.210758229e+02 1.16 4.854442525e+02 2.855943216e+02 4.275708189e+02 4.854432984e+02 4.854517205e+02 1.699979677e+02 2.976792925e+02 4.447705261e+02 1.908444693e+02 2.959625502e+02 1.18 4.498142797e+02 2.627263776e+02 3.955328331e+02 4.498166873e+02 4.498266001e+02 1.564655071e+02 2.742879854e+02 4.116546015e+02 1.750905951e+02 2.728830881e+02 1.20 4.169241836e+02 2.417195046e+02 3.659933473e+02 4.169361869e+02 4.169489136e+02 1.440484614e+02 2.527845107e+02 3.811116876e+02 1.606597502e+02 2.516598827e+02 1.22 3.865464451e+02 2.224116226e+02 3.387375229e+02 3.865688797e+02 3.865848083e+02 1.326456788e+02 2.330008596e+02 3.529261133e+02 1.474321355e+02 2.321335839e+02 1.24 3.584731900e+02 2.046552492e+02 3.135733139e+02 3.585017470e+02 3.585202730e+02 1.221674740e+02 2.147879754e+02 3.269000781e+02 1.352999182e+02 2.141594427e+02 1.26 3.325141928e+02 1.883193691e+02 2.903278966e+02 3.325429211e+02 3.325625954e+02 1.125347646e+02 1.980135594e+02 3.028530570e+02 1.241663507e+02 1.976063371e+02 1.28 3.084972151e+02 1.732820456e+02 2.688461440e+02 3.085205309e+02 3.085391242e+02 1.036752162e+02 1.825583915e+02 2.806214084e+02 1.139439733e+02 1.823522476e+02 1.30 2.862627237e+02 1.594340260e+02 2.489872353e+02 2.862776704e+02 2.862933477e+02 9.552301968e+01 1.683124759e+02 2.600560733e+02 1.045532220e+02 1.682860152e+02 1.32 2.656676826e+02 1.466749168e+02 2.306206655e+02 2.656735101e+02 2.656851694e+02 8.801744224e+01 1.551757668e+02 2.410216789e+02 9.592163348e+01 1.553072841e+02 1.34 2.465783854e+02 1.349130684e+02 2.136222400e+02 2.465774933e+02 2.465850516e+02 8.110084380e+01 1.430552433e+02 2.233938381e+02 8.798307912e+01 1.433267042e+02 1.36 2.288753455e+02 1.240663393e+02 1.978796518e+02 2.288714160e+02 2.288756679e+02 7.472020591e+01 1.318676266e+02 2.070599094e+02 8.067909997e+01 1.322628844e+02 1.38 2.124491989e+02 1.140604435e+02 1.832923181e+02 2.124451629e+02 2.124469633e+02 6.882913240e+01 1.215372340e+02 1.919171852e+02 7.395651201e+01 1.220415204e+02 1.40 1.972004301e+02 1.048278526e+02 1.697678114e+02 1.971988989e+02 1.971995800e+02 6.338645518e+01 1.119953935e+02 1.778733065e+02 6.776756621e+01 1.125941996e+02 1.42 1.830388887e+02 9.630692303e+01 1.572232226e+02 1.830413196e+02 1.830424239e+02 5.835535773e+01 1.031792537e+02 1.648429178e+02 6.206898543e+01 1.038573156e+02 1.44 1.698835319e+02 8.844021613e+01 1.455834288e+02 1.698902308e+02 1.698931011e+02 5.370314885e+01 9.503013050e+01 1.527497991e+02 5.682026595e+01 9.577478308e+01 1.46 1.576584013e+02 8.117579939e+01 1.347801540e+02 1.576694606e+02 1.576751940e+02 4.939987926e+01 8.749443969e+01 1.415234871e+02 5.198446698e+01 8.829457860e+01 1.48 1.462955824e+02 7.446645999e+01 1.247527336e+02 1.463100266e+02 1.463189287e+02 4.541897472e+01 8.052309393e+01 1.310992229e+02 4.752704379e+01 8.137180927e+01 1.50 1.357308762e+02 6.826803288e+01 1.154429470e+02 1.357475269e+02 1.357592342e+02 4.173500546e+01 7.407211631e+01 1.214178131e+02 4.341724725e+01 7.496442387e+01 1.52 1.259059813e+02 6.254009219e+01 1.067998148e+02 1.259233909e+02 1.259369749e+02 3.832652520e+01 6.810180349e+01 1.124236513e+02 3.962635748e+01 6.903427080e+01 1.54 1.167654774e+02 5.724684628e+01 9.877267018e+01 1.167827321e+02 1.167970788e+02 3.517142954e+01 6.257655853e+01 1.040659814e+02 3.612925328e+01 6.354460937e+01 1.56 1.082607226e+02 5.235558637e+01 9.131606698e+01 1.082760748e+02 1.082900765e+02 3.225075870e+01 5.746300763e+01 9.629800930e+01 3.290247568e+01 5.846134849e+01 1.58 1.003460338e+02 4.783620797e+01 8.438787129e+01 1.003581197e+02 1.003707997e+02 2.954605291e+01 5.273001375e+01 8.907687402e+01 2.992482328e+01 5.375157485e+01 1.60 9.298002136e+01 4.365954743e+01 7.794935553e+01 9.298725031e+01 9.299782024e+01 2.704028743e+01 4.834857486e+01 8.236261868e+01 2.717650539e+01 4.938637631e+01 1.62 8.612196960e+01 3.979931948e+01 7.196455887e+01 8.612433699e+01 8.613243407e+01 2.471714618e+01 4.429190587e+01 7.611830969e+01 2.463979815e+01 4.533796385e+01 1.64 7.973547215e+01 3.623127572e+01 6.640182456e+01 7.973402599e+01 7.973953701e+01 2.256268353e+01 4.053510709e+01 7.030977754e+01 2.229844368e+01 4.158291867e+01 1.66 7.378651193e+01 3.293332083e+01 6.123118907e+01 7.378298280e+01 7.378618572e+01 2.056414714e+01 3.705548881e+01 6.490586615e+01 2.013707776e+01 3.809953337e+01 1.68 6.824394500e+01 2.988545086e+01 5.642434727e+01 6.824015069e+01 6.824123734e+01 1.870979098e+01 3.383164976e+01 5.987796377e+01 1.814145390e+01 3.486799930e+01 1.70 6.308016539e+01 2.706806004e+01 5.195476595e+01 6.307703075e+01 6.307641497e+01 1.698895049e+01 3.084423843e+01 5.519930209e+01 1.629888179e+01 3.187039121e+01 1.72 5.826807100e+01 2.446397350e+01 4.779764431e+01 5.826677292e+01 5.826504426e+01 1.539152709e+01 2.807549248e+01 5.084523035e+01 1.459718804e+01 2.909001527e+01 1.74 5.378416923e+01 2.205660741e+01 4.392985581e+01 5.378459309e+01 5.378211322e+01 1.390935748e+01 2.550928021e+01 4.679294387e+01 1.302555211e+01 2.651138814e+01 1.76 4.960577375e+01 1.983062403e+01 4.033057681e+01 4.960764424e+01 4.960486079e+01 1.253433923e+01 2.313109729e+01 4.302145576e+01 1.157391359e+01 2.412036540e+01 1.78 4.571185857e+01 1.777225112e+01 3.698150968e+01 4.571502430e+01 4.571243205e+01 1.125882593e+01 2.092770708e+01 3.951093175e+01 1.023312425e+01 2.190243778e+01 1.80 4.208284107e+01 1.586929854e+01 3.386579361e+01 4.208692427e+01 4.208507230e+01 1.007587595e+01 1.888652452e+01 3.624364817e+01 8.995615019e+00 1.984564434e+01 1.82 3.870133160e+01 1.411049086e+01 3.096714676e+01 3.870570367e+01 3.870507990e+01 8.978414440e+00 1.699615121e+01 3.320301656e+01 7.854513045e+00 1.793854401e+01 1.84 3.554883785e+01 1.248553416e+01 2.827130609e+01 3.555382787e+01 3.555495752e+01 7.960856844e+00 1.524561422e+01 3.037270844e+01 6.802603313e+00 1.616972283e+01 1.86 3.261079144e+01 1.098524351e+01 2.576460745e+01 3.261602533e+01 3.261911559e+01 7.017750606e+00 1.362446237e+01 2.773868691e+01 5.833006300e+00 1.452942585e+01 1.88 2.987259463e+01 9.600640527e+00 2.343431098e+01 2.987777559e+01 2.988273347e+01 6.144083244e+00 1.212331076e+01 2.528748720e+01 4.939572215e+00 1.300826512e+01 1.90 2.732100805e+01 8.323234796e+00 2.126870235e+01 2.732553581e+01 2.733192402e+01 5.335173043e+00 1.073346152e+01 2.300613945e+01 4.116872464e+00 1.159772402e+01 1.92 2.494292672e+01 7.144764267e+00 1.925572096e+01 2.494669134e+01 2.495401115e+01 4.586529526e+00 9.446596970e+00 2.088318314e+01 3.359779667e+00 1.028966803e+01 1.94 2.272689609e+01 6.057949701e+00 1.738524226e+01 2.272995410e+01 2.273763049e+01 3.894022788e+00 8.255078539e+00 1.890787580e+01 2.663578958e+00 9.076801674e+00 1.96 2.066181933e+01 5.056271974e+00 1.564628166e+01 2.066427434e+01 2.067173210e+01 3.253186732e+00 7.152228699e+00 1.706990344e+01 2.023590984e+00 7.952262756e+00 1.98 1.873769245e+01 4.134368812e+00 1.402984334e+01 1.873982150e+01 1.874665409e+01 2.660477094e+00 6.132533902e+00 1.536009128e+01 1.435833005e+00 6.910959390e+00 2.00 1.694453769e+01 3.286677296e+00 1.252725608e+01 1.694691048e+01 1.695290758e+01 2.112389541e+00 5.190639833e+00 1.376985720e+01 8.964026003e-01 5.946756876e+00 2.02 1.527405987e+01 2.507975830e+00 1.113067537e+01 1.527697251e+01 1.528197610e+01 1.605780127e+00 4.320925163e+00 1.229143740e+01 4.017401457e-01 5.054551152e+00 2.04 1.371831852e+01 1.793299893e+00 9.832572293e+00 1.372178912e+01 1.372571140e+01 1.137361661e+00 3.518253261e+00 1.091753381e+01 -5.154444597e-02 4.229297116e+00 2.06 1.226996068e+01 1.137980086e+00 8.626297673e+00 1.227388462e+01 1.227669295e+01 7.043773438e-01 2.777608715e+00 9.641393257e+00 -4.664707426e-01 3.466291013e+00 2.08 1.092228416e+01 5.375628670e-01 7.505471338e+00 1.092611816e+01 1.092782410e+01 3.040689398e-01 2.094723317e+00 8.456485570e+00 -8.458579188e-01 2.761323519e+00 2.10 9.668370944e+00 -1.214100464e-02 6.464268386e+00 9.671879858e+00 9.672526344e+00 -6.605338589e-02 1.465465812e+00 7.356422147e+00 -1.192146613e+00 2.109803622e+00 2.12 8.502463106e+00 -5.150975534e-01 5.497363070e+00 8.505341182e+00 8.505086363e+00 -4.081862356e-01 8.863317165e-01 6.335480110e+00 -1.507851761e+00 1.508295377e+00 2.14 7.418786301e+00 -9.748858011e-01 4.600548560e+00 7.420535183e+00 7.419320189e+00 -7.242162390e-01 3.535269209e-01 5.388071014e+00 -1.795209361e+00 9.533579084e-01 2.16 6.411844693e+00 -1.395247767e+00 3.770135096e+00 6.412190458e+00 6.410119400e+00 -1.015762834e+00 -1.359968679e-01 4.509440028e+00 -2.056417309e+00 4.418725892e-01 2.18 5.476255412e+00 -1.779282370e+00 3.002015045e+00 5.475060569e+00 5.472268028e+00 -1.284282323e+00 -5.852006562e-01 3.695345509e+00 -2.293585867e+00 -2.905722126e-02 2.20 4.607676627e+00 -2.129695927e+00 2.292572039e+00 4.604852363e+00 4.601460401e+00 -1.530960661e+00 -9.968608446e-01 2.940806062e+00 -2.508618295e+00 -4.618574573e-01 2.22 3.801214884e+00 -2.449145319e+00 1.637487430e+00 3.797219507e+00 3.793515254e+00 -1.757386990e+00 -1.373637819e+00 2.241686354e+00 -2.703456386e+00 -8.595955334e-01 2.24 3.052690434e+00 -2.739755363e+00 1.033488356e+00 3.047963761e+00 3.044196091e+00 -1.964568241e+00 -1.718089850e+00 1.594241086e+00 -2.879609008e+00 -1.224260684e+00 2.26 2.357955856e+00 -3.003494079e+00 4.769912384e-01 2.353031719e+00 2.349447593e+00 -2.153704393e+00 -2.032387623e+00 9.950188113e-01 -3.038493159e+00 -1.558069423e+00 2.28 1.713353954e+00 -3.242135049e+00 -3.548528298e-02 1.708858731e+00 1.705677072e+00 -2.325986947e+00 -2.318990401e+00 4.408992841e-01 -3.181304578e+00 -1.863111475e+00 2.30 1.115658792e+00 -3.457314293e+00 -5.072492037e-01 1.111877182e+00 1.109278481e+00 -2.482616395e+00 -2.579772479e+00 -7.098458505e-02 -3.309268469e+00 -2.141361191e+00 2.32 5.619941364e-01 -3.650428675e+00 -9.411701575e-01 5.591985493e-01 5.572973384e-01 -2.624698804e+00 -2.816782546e+00 -5.432995208e-01 -3.423326560e+00 -2.394594621e+00 2.34 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