# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al # implementation = 1996--Farkas-D--Nb-Ti-Al--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 3.343562687e+02 nan 0.80 nan nan nan nan nan nan nan nan 3.317994850e+02 nan 0.82 nan nan nan nan nan nan nan nan 3.207332254e+02 nan 0.84 nan nan nan nan nan 2.580565680e+02 nan nan 3.035065418e+02 nan 0.86 nan nan nan nan nan 2.421542677e+02 nan nan 2.825284605e+02 nan 0.88 nan nan nan nan nan 2.234445335e+02 nan nan 2.602817150e+02 nan 0.90 nan nan nan nan nan 2.052060795e+02 nan nan 2.391496341e+02 nan 0.92 nan nan nan nan nan 1.886382102e+02 nan nan 2.199508726e+02 nan 0.94 nan nan nan 4.378896768e+02 4.378736815e+02 1.735678332e+02 nan nan 2.024914614e+02 2.898311045e+02 0.96 nan 2.651878713e+02 nan 4.058972387e+02 4.059151729e+02 1.598377893e+02 2.713526531e+02 nan 1.865744122e+02 2.679133381e+02 0.98 nan 2.452235689e+02 nan 3.766250176e+02 3.766754739e+02 1.473298739e+02 2.510806900e+02 nan 1.720329458e+02 2.478550681e+02 1.00 nan 2.269496063e+02 nan 3.498059746e+02 3.498666016e+02 1.359223617e+02 2.325061952e+02 nan 1.587319883e+02 2.295199833e+02 1.02 nan 2.102003732e+02 nan 3.251747608e+02 3.252272487e+02 1.255010495e+02 2.154626056e+02 nan 1.465481671e+02 2.127240297e+02 1.04 nan 1.948450915e+02 nan 3.025234367e+02 3.025560886e+02 1.159821941e+02 1.998200204e+02 nan 1.353737062e+02 1.973080679e+02 1.06 nan 1.807544187e+02 nan 2.816817480e+02 2.816841141e+02 1.072706920e+02 1.854469947e+02 2.616049116e+02 1.251136288e+02 1.831293332e+02 1.08 2.625349394e+02 1.677924623e+02 2.356729517e+02 2.624909361e+02 2.624631693e+02 9.925135462e+01 1.722112752e+02 2.436873667e+02 1.156860397e+02 1.700473161e+02 1.10 2.448714547e+02 1.558557213e+02 2.196242021e+02 2.448115911e+02 2.447653381e+02 9.183483392e+01 1.600076508e+02 2.271719438e+02 1.070199024e+02 1.579644338e+02 1.12 2.285713682e+02 1.448313405e+02 2.047834564e+02 2.285112039e+02 2.284582541e+02 8.495277077e+01 1.487361634e+02 2.119105370e+02 9.905014228e+01 1.468033470e+02 1.14 2.134920421e+02 1.346259836e+02 1.910626181e+02 2.134451381e+02 2.133954125e+02 7.856170528e+01 1.383170841e+02 1.977705518e+02 9.171067246e+01 1.364862413e+02 1.16 1.994969408e+02 1.251799492e+02 1.783806804e+02 1.994756914e+02 1.994420153e+02 7.263810785e+01 1.286808776e+02 1.846559831e+02 8.495022948e+01 1.269422508e+02 1.18 1.865029134e+02 1.164253590e+02 1.666299438e+02 1.865069293e+02 1.864952884e+02 6.716226062e+01 1.197519630e+02 1.724900607e+02 7.871470112e+01 1.181142989e+02 1.20 1.744303199e+02 1.083035424e+02 1.557067725e+02 1.744590350e+02 1.744700270e+02 6.209460818e+01 1.114610873e+02 1.612020815e+02 7.295615978e+01 1.099534875e+02 1.22 1.632162948e+02 1.007757178e+02 1.455470577e+02 1.632604828e+02 1.632905073e+02 5.740040647e+01 1.037544132e+02 1.507227141e+02 6.763328868e+01 1.024186468e+02 1.24 1.527968218e+02 9.379427789e+01 1.361027570e+02 1.528439382e+02 1.528859255e+02 5.305726488e+01 9.659553828e+01 1.409900204e+02 6.270071415e+01 9.545065970e+01 1.26 1.430991569e+02 8.731043224e+01 1.273141870e+02 1.431444615e+02 1.431922119e+02 4.903830900e+01 8.995540319e+01 1.319412494e+02 5.811930358e+01 8.899108837e+01 1.28 1.340651605e+02 8.129366123e+01 1.191229480e+02 1.341040255e+02 1.341502138e+02 4.531458646e+01 8.380337532e+01 1.235168067e+02 5.385986949e+01 8.299696163e+01 1.30 1.256540320e+02 7.571154525e+01 1.114781461e+02 1.256762248e+02 1.257127176e+02 4.185776641e+01 7.810336577e+01 1.156645816e+02 4.989089123e+01 7.742528554e+01 1.32 1.178226337e+02 7.051842808e+01 1.043377419e+02 1.178204502e+02 1.178414127e+02 3.864034412e+01 7.281378922e+01 1.083380475e+02 4.618555958e+01 7.223548219e+01 1.34 1.105138435e+02 6.566842114e+01 9.766619456e+01 1.104902025e+02 1.104935719e+02 3.564106231e+01 6.790025601e+01 1.014893984e+02 4.272566997e+01 6.739859025e+01 1.36 1.036579093e+02 6.113091328e+01 9.142791605e+01 1.036297406e+02 1.036201136e+02 3.284319572e+01 6.333428157e+01 9.507172438e+01 3.949238241e+01 6.287610367e+01 1.38 9.721537141e+01 5.689094023e+01 8.559266053e+01 9.719941926e+01 9.718331188e+01 3.023595390e+01 5.908064328e+01 8.905715821e+01 3.646202529e+01 5.863756143e+01 1.40 9.117390761e+01 5.293142058e+01 8.012922609e+01 9.117237101e+01 9.115452369e+01 2.780687348e+01 5.510576234e+01 8.342592124e+01 3.361901434e+01 5.466734932e+01 1.42 8.551223195e+01 4.922974176e+01 7.500294847e+01 8.552103633e+01 8.550483115e+01 2.553954005e+01 5.138468751e+01 7.815486663e+01 3.095259066e+01 5.094918637e+01 1.44 8.020474172e+01 4.576604318e+01 7.018861757e+01 8.021888077e+01 8.020565506e+01 2.341860179e+01 4.789519045e+01 7.322015953e+01 2.845157911e+01 4.746543764e+01 1.46 7.523209223e+01 4.252493688e+01 6.567803901e+01 7.524543138e+01 7.523498851e+01 2.143552147e+01 4.462042501e+01 6.859788621e+01 2.610713703e+01 4.419739258e+01 1.48 7.057368146e+01 3.949486806e+01 6.146643376e+01 7.058197975e+01 7.057435691e+01 1.958629793e+01 4.154832541e+01 6.426460179e+01 2.391304375e+01 4.112584462e+01 1.50 6.620774590e+01 3.666510715e+01 5.753659875e+01 6.620871440e+01 6.620435525e+01 1.786296126e+01 3.866329765e+01 6.020226966e+01 2.186135256e+01 3.823529095e+01 1.52 6.210872786e+01 3.402112241e+01 5.386552781e+01 6.210222867e+01 6.210232301e+01 1.625691988e+01 3.594936193e+01 5.639050156e+01 1.994209814e+01 3.551135934e+01 1.54 5.825626537e+01 3.154888591e+01 5.043847289e+01 5.824376571e+01 5.824898914e+01 1.476344336e+01 3.339190497e+01 5.281010835e+01 1.814747647e+01 3.294218496e+01 1.56 5.463189094e+01 2.923528603e+01 4.724044134e+01 5.461757109e+01 5.462722842e+01 1.338039761e+01 3.097838578e+01 4.944496874e+01 1.647058255e+01 3.051648343e+01 1.58 5.122188279e+01 2.706736232e+01 4.424304205e+01 5.120771722e+01 5.121759372e+01 1.209497685e+01 2.869614684e+01 4.628358696e+01 1.490545679e+01 2.822809130e+01 1.60 4.801462775e+01 2.503158674e+01 4.142005312e+01 4.800025863e+01 4.800570304e+01 1.089530222e+01 2.653545112e+01 4.331476851e+01 1.344979033e+01 2.607235709e+01 1.62 4.499625058e+01 2.311404163e+01 3.875473193e+01 4.498350793e+01 4.498307852e+01 9.772968322e+00 2.449028718e+01 4.052634595e+01 1.209688378e+01 2.404177240e+01 1.64 4.215273391e+01 2.130625899e+01 3.623268656e+01 4.214514491e+01 4.213974988e+01 8.720422318e+00 2.255534435e+01 3.790670109e+01 1.083998069e+01 2.212681691e+01 1.66 3.947676708e+01 1.960234827e+01 3.384600710e+01 3.947540953e+01 3.946597748e+01 7.733466887e+00 2.072473465e+01 3.544645167e+01 9.671771953e+00 2.032289553e+01 1.68 3.696385014e+01 1.799328754e+01 3.158999683e+01 3.696602220e+01 3.695301307e+01 6.809401167e+00 1.899329652e+01 3.313446124e+01 8.584460513e+00 1.862802666e+01 1.70 3.460681326e+01 1.647051527e+01 2.945805714e+01 3.460742731e+01 3.459127658e+01 5.943686870e+00 1.735716459e+01 3.095908079e+01 7.571557455e+00 1.703917337e+01 1.72 3.239292605e+01 1.502890494e+01 2.744080591e+01 3.238907960e+01 3.237096594e+01 5.131997509e+00 1.581292273e+01 2.890454304e+01 6.628011525e+00 1.554937266e+01 1.74 3.030265144e+01 1.366528963e+01 2.553020214e+01 3.029527904e+01 3.027757770e+01 4.372308545e+00 1.436126875e+01 2.695440366e+01 5.748321821e+00 1.415261584e+01 1.76 2.831896614e+01 1.237480303e+01 2.372199073e+01 2.831076590e+01 2.829622958e+01 3.665401544e+00 1.300188917e+01 2.509935732e+01 4.928619980e+00 1.284424148e+01 1.78 2.643403030e+01 1.115384198e+01 2.201316137e+01 2.642676243e+01 2.641737904e+01 3.012346812e+00 1.173145771e+01 2.333215935e+01 4.165800357e+00 1.162139591e+01 1.80 2.464053178e+01 9.997440425e+00 2.039861340e+01 2.463542277e+01 2.463257810e+01 2.411361738e+00 1.054538512e+01 2.164667416e+01 3.455912349e+00 1.048049348e+01 1.82 2.293023687e+01 8.901548424e+00 1.887045981e+01 2.292886326e+01 2.293368511e+01 1.857807538e+00 9.437896641e+00 2.003821907e+01 2.794129506e+00 9.415243431e+00 1.84 2.129546619e+01 7.865160814e+00 1.741899296e+01 2.130027243e+01 2.131340663e+01 1.345356790e+00 8.403309203e+00 1.850392224e+01 2.174639188e+00 8.419857522e+00 1.86 1.973019107e+01 6.888210992e+00 1.603437585e+01 1.974422559e+01 1.976566549e+01 8.678686437e-01 7.436772879e+00 1.704250679e+01 1.592478053e+00 7.489390594e+00 1.88 1.823455388e+01 5.969485999e+00 1.471339370e+01 1.825892253e+01 1.828754484e+01 4.228172716e-01 6.533819145e+00 1.565432143e+01 1.045640147e+00 6.618813098e+00 1.90 1.681078282e+01 5.107936238e+00 1.345259565e+01 1.684359123e+01 1.687710185e+01 8.972674240e-03 5.689325722e+00 1.434163975e+01 5.334670041e-01 5.803052243e+00 1.92 1.546031589e+01 4.302527135e+00 1.224932442e+01 1.549787592e+01 1.553368219e+01 -3.757092009e-01 4.899871142e+00 1.310234853e+01 5.509791001e-02 5.038434888e+00 1.94 1.418328234e+01 3.551387683e+00 1.110265778e+01 1.422198207e+01 1.425802976e+01 -7.333496774e-01 4.163414339e+00 1.193319419e+01 -3.901436946e-01 4.322077872e+00 1.96 1.297638689e+01 2.851841196e+00 1.001186748e+01 1.301329996e+01 1.304804566e+01 -1.065089608e+00 3.478107159e+00 1.083053395e+01 -8.031795481e-01 3.650351650e+00 1.98 1.183648029e+01 2.199855583e+00 8.977046819e+00 1.186956660e+01 1.190149286e+01 -1.370759502e+00 2.841646113e+00 9.790485436e+00 -1.185379763e+00 3.019112726e+00 2.00 1.076048936e+01 1.591034756e+00 7.998428325e+00 1.078813688e+01 1.081555375e+01 -1.650463747e+00 2.250412740e+00 8.809757646e+00 -1.538475603e+00 2.423725898e+00 2.02 9.745524348e+00 1.021353811e+00 7.075515685e+00 9.766147751e+00 9.787275698e+00 -1.905097791e+00 1.700198191e+00 7.885083729e+00 -1.865169757e+00 1.861492972e+00 2.04 8.788546840e+00 4.880441473e-01 6.205496316e+00 8.800627790e+00 8.813872577e+00 -2.136277673e+00 1.186873639e+00 7.012818402e+00 -2.167857896e+00 1.331674966e+00 2.06 7.886350314e+00 -1.120354463e-02 5.386352815e+00 7.888786164e+00 7.892911128e+00 -2.345465318e+00 7.060822227e-01 6.188693386e+00 -2.447241586e+00 8.345597378e-01 2.08 7.035308544e+00 -4.784418485e-01 4.616891395e+00 7.027952200e+00 7.022519663e+00 -2.533810770e+00 2.540680751e-01 5.409663376e+00 -2.703923551e+00 3.693744857e-01 2.10 6.231344976e+00 -9.154644533e-01 3.895608297e+00 6.214978785e+00 6.200395089e+00 -2.702319483e+00 -1.711949828e-01 4.674545631e+00 -2.938511281e+00 -6.537349649e-02 2.12 5.470794007e+00 -1.323739845e+00 3.220648516e+00 5.446942117e+00 5.424368252e+00 -2.851853445e+00 -5.714433293e-01 3.981749585e+00 -3.151307010e+00 -4.727113267e-01 2.14 4.750417600e+00 -1.704324052e+00 2.589456032e+00 4.720918799e+00 4.691959635e+00 -2.983498501e+00 -9.486198926e-01 3.328849805e+00 -3.342558806e+00 -8.569591784e-01 2.16 4.067725451e+00 -2.057321391e+00 1.998907069e+00 4.034400827e+00 4.000890793e+00 -3.098759445e+00 -1.303817224e+00 2.712642277e+00 -3.512657899e+00 -1.220584119e+00 2.18 3.420499401e+00 -2.383072989e+00 1.445978120e+00 3.385265927e+00 3.349274900e+00 -3.199165294e+00 -1.637659430e+00 2.129733784e+00 -3.662965663e+00 -1.564320986e+00 2.20 2.806354445e+00 -2.682266307e+00 9.282136320e-01 2.771202147e+00 2.734898221e+00 -3.286233337e+00 -1.950834728e+00 1.577606080e+00 -3.795211331e+00 -1.888665214e+00 2.22 2.224116310e+00 -2.955559400e+00 4.438501250e-01 2.190685532e+00 2.155880888e+00 -3.361008267e+00 -2.244796785e+00 1.055325487e+00 -3.911097004e+00 -2.193051291e+00 2.24 1.673018389e+00 -3.203739727e+00 -8.532019677e-03 1.642505627e+00 1.610560926e+00 -3.424186351e+00 -2.520846210e+00 5.627635834e-01 -4.011432296e+00 -2.476601530e+00 2.26 1.152690465e+00 -3.427282460e+00 -4.302248349e-01 1.125817823e+00 1.097612243e+00 -3.476414527e+00 -2.779620763e+00 9.951723820e-02 -4.096586407e+00 -2.738518195e+00 2.28 6.623153627e-01 -3.626945236e+00 -8.225221443e-01 6.395514192e-01 6.157020172e-01 -3.518302133e+00 -3.020877177e+00 -3.354549141e-01 -4.166900899e+00 -2.978940307e+00 2.30 2.006932558e-01 -3.803593124e+00 -1.186937906e+00 1.823873905e-01 1.633779680e-01 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