# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeTi3 # 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 2024-04-11 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 2.873851566e+02 nan nan 1.16 2.630221334e+02 nan nan 1.18 2.407418075e+02 nan nan 1.20 2.203515296e+02 nan nan 1.22 2.016799974e+02 nan nan 1.24 1.845749207e+02 nan nan 1.26 1.688996520e+02 nan nan 1.28 1.545299873e+02 2.465882115e+02 2.850886916e+02 1.30 1.413525111e+02 2.273142430e+02 2.633660663e+02 1.32 1.292638177e+02 2.095412472e+02 2.433125365e+02 1.34 1.181698781e+02 1.931412168e+02 2.247907989e+02 1.36 1.079856374e+02 1.779982921e+02 2.076749288e+02 1.38 9.863423557e+01 1.640090059e+02 1.918503088e+02 1.40 9.004560920e+01 1.510807537e+02 1.772132304e+02 1.42 8.215538075e+01 1.391298818e+02 1.636696246e+02 1.44 7.490453520e+01 1.280807639e+02 1.511337704e+02 1.46 6.823924743e+01 1.178654546e+02 1.395273451e+02 1.48 6.211043864e+01 1.084226945e+02 1.287784374e+02 1.50 5.647349407e+01 9.969622516e+01 1.188206232e+02 1.52 5.128834200e+01 9.163327761e+01 1.095926463e+02 1.54 4.651932589e+01 8.418384519e+01 1.010386637e+02 1.56 4.213442668e+01 7.730075882e+01 9.310828849e+01 1.58 3.810418973e+01 7.094006870e+01 8.575587166e+01 1.60 3.440100525e+01 6.506121975e+01 7.893937244e+01 1.62 3.099899088e+01 5.962694706e+01 7.261956581e+01 1.64 2.787417817e+01 5.460301647e+01 6.675993757e+01 1.66 2.500468859e+01 4.995781594e+01 6.132691862e+01 1.68 2.237083211e+01 4.566187751e+01 5.628984644e+01 1.70 1.995375966e+01 4.168761334e+01 5.162052407e+01 1.72 1.773591875e+01 3.800944251e+01 4.729272523e+01 1.74 1.570105395e+01 3.460411337e+01 4.328188153e+01 1.76 1.383430086e+01 3.145082357e+01 3.956494908e+01 1.78 1.212222119e+01 2.853097681e+01 3.612039279e+01 1.80 1.055268214e+01 2.582777962e+01 3.292821026e+01 1.82 9.114611716e+00 2.332633807e+01 2.996988694e+01 1.84 7.797736247e+00 2.101266301e+01 2.722826691e+01 1.86 6.592383342e+00 1.887361509e+01 2.468750824e+01 1.88 5.489387193e+00 1.689697948e+01 2.233331903e+01 1.90 4.480104928e+00 1.507124811e+01 2.015198295e+01 1.92 3.556521170e+00 1.338548669e+01 1.813073474e+01 1.94 2.711372357e+00 1.182927902e+01 1.625769757e+01 1.96 1.938207478e+00 1.039276644e+01 1.452188233e+01 1.98 1.231347902e+00 9.066743598e+00 1.291325490e+01 2.00 5.857649487e-01 7.842723368e+00 1.142276727e+01 2.02 -3.077824675e-03 6.712916905e+00 1.004228381e+01 2.04 -5.393691521e-01 5.670157454e+00 8.764427208e+00 2.06 -1.027051832e+00 4.707838003e+00 7.582416879e+00 2.08 -1.469874363e+00 3.819901672e+00 6.489950966e+00 2.10 -1.871406170e+00 3.000864235e+00 5.481130210e+00 2.12 -2.235035050e+00 2.245816294e+00 4.550397955e+00 2.14 -2.563953746e+00 1.550371576e+00 3.692473304e+00 2.16 -2.861133670e+00 9.105699582e-01 2.902279678e+00 2.18 -3.129289509e+00 3.227651480e-01 2.174894917e+00 2.20 -3.370853815e+00 -2.164761633e-01 1.505554243e+00 2.22 -3.587978334e+00 -7.104515192e-01 8.897195799e-01 2.24 -3.782564835e+00 -1.162368581e+00 3.231800975e-01 2.26 -3.956311908e+00 -1.575355044e+00 -1.978715822e-01 2.28 -4.110760696e+00 -1.952434058e+00 -6.768317567e-01 2.30 -4.247328877e+00 -2.296475078e+00 -1.116741142e+00 2.32 -4.367332116e+00 -2.610141163e+00 -1.520367091e+00 2.34 -4.471996274e+00 -2.895845766e+00 -1.890273580e+00 2.36 -4.562464039e+00 -3.155733493e+00 -2.228861579e+00 2.38 -4.639798784e+00 -3.391687777e+00 -2.538381103e+00 2.40 -4.704987464e+00 -3.605364072e+00 -2.820924774e+00 2.42 -4.758943520e+00 -3.798238174e+00 -3.078418110e+00 2.44 -4.802510939e+00 -3.971655683e+00 -3.312616711e+00 2.46 -4.836608245e+00 -4.126873411e+00 -3.525116659e+00 2.48 -4.861945665e+00 -4.265088098e+00 -3.717377316e+00 2.50 -4.878983124e+00 -4.387452594e+00 -3.890752130e+00 2.52 -4.888185075e+00 -4.495080961e+00 -4.046520607e+00 2.54 -4.890014038e+00 -4.589044911e+00 -4.185917535e+00 2.56 -4.884927424e+00 -4.670365192e+00 -4.310153220e+00 2.58 -4.873376218e+00 -4.740002273e+00 -4.420420260e+00 2.60 -4.855775609e+00 -4.798849913e+00 -4.517883532e+00 2.62 -4.832230199e+00 -4.847733018e+00 -4.603654710e+00 2.64 -4.802734175e+00 -4.887409657e+00 -4.678759679e+00 2.66 -4.767378902e+00 -4.918581691e+00 -4.744109135e+00 2.68 -4.726325210e+00 -4.942008992e+00 -4.800484446e+00 2.70 -4.679784567e+00 -4.958245288e+00 -4.848540124e+00 2.72 -4.628007835e+00 -4.967663434e+00 -4.888819569e+00 2.74 -4.571272805e+00 -4.970623466e+00 -4.921781082e+00 2.76 -4.509875671e+00 -4.967477362e+00 -4.947954894e+00 2.78 -4.444126325e+00 -4.958567994e+00 -4.967618937e+00 2.80 -4.374347723e+00 -4.944230309e+00 -4.980935313e+00 2.82 -4.300860639e+00 -4.924790895e+00 -4.988083948e+00 2.84 -4.223914461e+00 -4.900427931e+00 -4.989269129e+00 2.86 -4.143776681e+00 -4.871088541e+00 -4.984725192e+00 2.88 -4.060772322e+00 -4.836774829e+00 -4.974719899e+00 2.90 -3.975278397e+00 -4.797578817e+00 -4.959553658e+00 2.92 -3.887713500e+00 -4.753664467e+00 -4.939486104e+00 2.94 -3.798521661e+00 -4.705257042e+00 -4.914551124e+00 2.96 -3.708152932e+00 -4.652636633e+00 -4.884791199e+00 2.98 -3.617045536e+00 -4.596129036e+00 -4.850312810e+00 3.00 -3.525612718e+00 -4.536097842e+00 -4.811257689e+00 3.02 -3.434236719e+00 -4.472935468e+00 -4.767793795e+00 3.04 -3.343269457e+00 -4.407050456e+00 -4.720106579e+00 3.06 -3.253037210e+00 -4.338847123e+00 -4.668392444e+00 3.08 -3.163845314e+00 -4.268642618e+00 -4.612854908e+00 3.10 -3.075979025e+00 -4.196674831e+00 -4.553702723e+00 3.12 -2.989698533e+00 -4.123158394e+00 -4.491149486e+00 3.14 -2.905229025e+00 -4.048281741e+00 -4.425414237e+00 3.16 -2.822749426e+00 -3.972209021e+00 -4.356685789e+00 3.18 -2.742384378e+00 -3.895088874e+00 -4.285104096e+00 3.20 -2.664202656e+00 -3.817064624e+00 -4.210835503e+00 3.22 -2.588222396e+00 -3.738283479e+00 -4.134083507e+00 3.24 -2.514420995e+00 -3.658902627e+00 -4.055091380e+00 3.26 -2.442746547e+00 -3.579091518e+00 -3.974145117e+00 3.28 -2.373128321e+00 -3.499030492e+00 -3.891574888e+00 3.30 -2.305485069e+00 -3.418906523e+00 -3.807753812e+00 3.32 -2.239731126e+00 -3.338907141e+00 -3.723092294e+00 3.34 -2.175780675e+00 -3.259213714e+00 -3.638026581e+00 3.36 -2.113551064e+00 -3.179995262e+00 -3.553001207e+00 3.38 -2.052964398e+00 -3.101403775e+00 -3.468446728e+00 3.40 -1.993949049e+00 -3.023571748e+00 -3.384755979e+00 3.42 -1.936440008e+00 -2.946612480e+00 -3.302263182e+00 3.44 -1.880379068e+00 -2.870622456e+00 -3.221229869e+00 3.46 -1.825714007e+00 -2.795686129e+00 -3.141839842e+00 3.48 -1.772398269e+00 -2.721881477e+00 -3.064202997e+00 3.50 -1.720390178e+00 -2.649285354e+00 -2.988365671e+00 3.52 -1.669652692e+00 -2.577977246e+00 -2.914325428e+00 3.54 -1.620152449e+00 -2.508040266e+00 -2.842044670e+00 3.56 -1.571859767e+00 -2.439558854e+00 -2.771464622e+00 3.58 -1.524748264e+00 -2.372613518e+00 -2.702515717e+00 3.60 -1.478794581e+00 -2.307273852e+00 -2.635125300e+00 3.62 -1.433978083e+00 -2.243591657e+00 -2.569222729e+00 3.64 -1.390280488e+00 -2.181595942e+00 -2.504742350e+00 3.66 -1.347685452e+00 -2.121290978e+00 -2.441624933e+00 3.68 -1.306178091e+00 -2.062657597e+00 -2.379818039e+00 3.70 -1.265744496e+00 -2.005657120e+00 -2.319275730e+00 3.72 -1.226371265e+00 -1.950236760e+00 -2.259957898e+00 3.74 -1.188045089e+00 -1.896335339e+00 -2.201829421e+00 3.76 -1.150752404e+00 -1.843888422e+00 -2.144859278e+00 3.78 -1.114479141e+00 -1.792832354e+00 -2.089019699e+00 3.80 -1.079210553e+00 -1.743107053e+00 -2.034285416e+00 3.82 -1.044931121e+00 -1.694657650e+00 -1.980633046e+00 3.84 -1.011624527e+00 -1.647435201e+00 -1.928040627e+00 3.86 -9.792736767e-01 -1.601396724e+00 -1.876487330e+00 3.88 -9.478607538e-01 -1.556504788e+00 -1.825953367e+00 3.90 -9.173672990e-01 -1.512726857e+00 -1.776420101e+00 3.92 -8.877742409e-01 -1.470034450e+00 -1.727870276e+00 3.94 -8.590622248e-01 -1.428402648e+00 -1.680288976e+00 3.96 -8.312113207e-01 -1.387808899e+00 -1.633663667e+00 3.98 -8.042013689e-01 -1.348232690e+00 -1.587985500e+00 4.00 -7.780119766e-01 -1.309654904e+00 -1.543250013e+00 4.02 -7.526225742e-01 -1.272057359e+00 -1.499457815e+00 4.04 -7.280124599e-01 -1.235422443e+00 -1.456614922e+00 4.06 -7.041608330e-01 -1.199732821e+00 -1.414732571e+00 4.08 -6.810468159e-01 -1.164971222e+00 -1.373826357e+00 4.10 -6.586494671e-01 -1.131120067e+00 -1.333914647e+00 4.12 -6.369477848e-01 -1.098162213e+00 -1.295016392e+00 4.14 -6.159207052e-01 -1.066079517e+00 -1.257148569e+00 4.16 -5.955470942e-01 -1.034853749e+00 -1.220323647e+00 4.18 -5.758057372e-01 -1.004466318e+00 -1.184547467e+00 4.20 -5.566751845e-01 -9.748982811e-01 -1.149817844e+00 4.22 -5.381343376e-01 -9.461303801e-01 -1.116124091e+00 4.24 -5.201614990e-01 -9.181430955e-01 -1.083447423e+00 4.26 -5.027350306e-01 -8.909167278e-01 -1.051762084e+00 4.28 -4.858331780e-01 -8.644314955e-01 -1.021036937e+00 4.30 -4.694340786e-01 -8.386676467e-01 -9.912372393e-01 4.32 -4.535157758e-01 -8.136055795e-01 -9.623263682e-01 4.34 -4.380562424e-01 -7.892259611e-01 -9.342673279e-01 4.36 -4.230333767e-01 -7.655098374e-01 -9.070239608e-01 4.38 -4.084252071e-01 -7.424387247e-01 -8.805618270e-01 4.40 -3.942097119e-01 -7.199946744e-01 -8.548487750e-01 4.42 -3.803650867e-01 -6.981603067e-01 -8.298552450e-01 4.44 -3.668698293e-01 -6.769188090e-01 -8.055543564e-01 4.46 -3.537029214e-01 -6.562539027e-01 -7.819218330e-01 4.48 -3.408440741e-01 -6.361497791e-01 -7.589358159e-01 4.50 -3.282740502e-01 -6.165910134e-01 -7.365766052e-01 4.52 -3.159750751e-01 -5.975624645e-01 -7.148261167e-01 4.54 -3.039313353e-01 -5.790491679e-01 -6.936686199e-01 4.56 -2.921295591e-01 -5.610362316e-01 -6.730888129e-01 4.58 -2.805596492e-01 -5.435087413e-01 -6.530727017e-01 4.60 -2.692153240e-01 -5.264516808e-01 -6.336070662e-01 4.62 -2.580946944e-01 -5.098498742e-01 -6.146792656e-01 4.64 -2.472006888e-01 -4.936879515e-01 -5.962770815e-01 4.66 -2.365412240e-01 -4.779503426e-01 -5.783885955e-01 4.68 -2.261290234e-01 -4.626213034e-01 -5.610020993e-01 4.70 -2.159810094e-01 -4.476849768e-01 -5.441060298e-01 4.72 -2.061172448e-01 -4.331254927e-01 -5.276889268e-01 4.74 -1.965594643e-01 -4.189271128e-01 -5.117394077e-01 4.76 -1.873293125e-01 -4.050744221e-01 -4.962461537e-01 4.78 -1.784464682e-01 -3.915525729e-01 -4.811979063e-01 4.80 -1.699268724e-01 -3.783474581e-01 -4.665834690e-01 4.82 -1.617812725e-01 -3.654465624e-01 -4.523917124e-01 4.84 -1.540142514e-01 -3.528385511e-01 -4.386115822e-01 4.86 -1.466238310e-01 -3.405142302e-01 -4.252321058e-01 4.88 -1.396016558e-01 -3.284667989e-01 -4.122423995e-01 4.90 -1.329336793e-01 -3.166922038e-01 -3.996316739e-01 4.92 -1.266012257e-01 -3.051894020e-01 -3.873892374e-01 4.94 -1.205822757e-01 -2.939604801e-01 -3.755044976e-01 4.96 -1.148528313e-01 -2.830105794e-01 -3.639669605e-01 4.98 -1.093882416e-01 -2.723475890e-01 -3.527662276e-01 5.00 -1.041644028e-01 -2.619815889e-01 -3.418919897e-01 5.02 -9.915878166e-02 -2.519240599e-01 -3.313340195e-01 5.04 -9.435123558e-02 -2.421869089e-01 -3.210821613e-01 5.06 -8.972461890e-02 -2.327813943e-01 -3.111263184e-01 5.08 -8.526517481e-02 -2.237170567e-01 -3.014564387e-01 5.10 -8.096271374e-02 -2.150007673e-01 -2.920624987e-01 5.12 -7.681058111e-02 -2.066359904e-01 -2.829344843e-01 5.14 -7.280542044e-02 -1.986223281e-01 -2.740623715e-01 5.16 -6.894674496e-02 -1.909553715e-01 -2.654361052e-01 5.18 -6.523634280e-02 -1.836268427e-01 -2.570455763e-01 5.20 -6.167755535e-02 -1.766249785e-01 -2.488805991e-01 5.22 -5.827448514e-02 -1.699350816e-01 -2.409308880e-01 5.24 -5.503119838e-02 -1.635401650e-01 -2.331860351e-01 5.26 -5.195099164e-02 -1.574216139e-01 -2.256354895e-01 5.28 -4.903578162e-02 -1.515598113e-01 -2.182685386e-01 5.30 -4.628567033e-02 -1.459346860e-01 -2.110742948e-01 5.32 -4.369870439e-02 -1.405261648e-01 -2.040416872e-01 5.34 -4.127082783e-02 -1.353145223e-01 -1.971594621e-01 5.36 -3.899587412e-02 -1.302806371e-01 -1.904161946e-01 5.38 -3.686583949e-02 -1.254061669e-01 -1.838003146e-01 5.40 -3.487184743e-02 -1.206736620e-01 -1.773001507e-01 5.42 -3.300394498e-02 -1.160666351e-01 -1.709039964e-01 5.44 -3.125149340e-02 -1.115696069e-01 -1.646002035e-01 5.46 -2.960356686e-02 -1.071681438e-01 -1.583773074e-01 5.48 -2.804929895e-02 -1.028489000e-01 -1.522241882e-01 5.50 -2.657816924e-02 -9.859967845e-02 -1.461302731e-01 5.52 -2.518022797e-02 -9.440951489e-02 -1.400857812e-01 5.54 -2.384618609e-02 -9.026879302e-02 -1.340819494e-01 5.56 -2.256768986e-02 -8.616938964e-02 -1.281116260e-01 5.58 -2.133740047e-02 -8.210484778e-02 -1.221692241e-01 5.60 -2.014900747e-02 -7.807057065e-02 -1.162513933e-01 5.62 -1.899726911e-02 -7.406402347e-02 -1.103573338e-01 5.64 -1.787803312e-02 -7.008492594e-02 -1.044891618e-01 5.66 -1.678823878e-02 -6.613541338e-02 -9.865221959e-02 5.68 -1.572589870e-02 -6.222014116e-02 -9.285529220e-02 5.70 -1.469005764e-02 -5.834630570e-02 -8.711069213e-02 5.72 -1.368072475e-02 -5.452355687e-02 -8.143417440e-02 5.74 -1.269877634e-02 -5.076378230e-02 -7.584465359e-02 5.76 -1.174582785e-02 -4.708075225e-02 -7.036370806e-02 5.78 -1.082407660e-02 -4.348947591e-02 -6.501487665e-02 5.80 -9.936120055e-03 -4.000585598e-02 -5.982277274e-02 5.82 -9.084758050e-03 -3.664602493e-02 -5.481207036e-02 5.84 -8.272790131e-03 -3.342547530e-02 -5.000643119e-02 5.86 -7.502821156e-03 -3.035834901e-02 -4.542745356e-02 5.88 -6.777088205e-03 -2.745680064e-02 -4.109372809e-02 5.90 -6.097320312e-03 -2.473048360e-02 -3.702007162e-02 5.92 -5.464639290e-03 -2.218605900e-02 -3.321683161e-02 5.94 -4.879505720e-03 -1.982696060e-02 -2.968956341e-02 5.96 -4.341709661e-03 -1.765415718e-02 -2.643993444e-02 5.98 -3.850401579e-03 -1.566570939e-02 -2.346523501e-02 6.00 -3.404155913e-03 -1.385702677e-02 -2.075852116e-02