# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W # implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr1 # composition = W # 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 6.188432636e+03 nan 0.70 nan nan nan nan nan nan nan nan 5.602595496e+03 nan 0.72 nan nan nan nan nan nan nan nan 5.081415332e+03 nan 0.74 nan nan nan nan nan 3.948513115e+03 nan nan 4.616523743e+03 nan 0.76 nan nan nan nan nan 3.592792893e+03 nan nan 4.200812787e+03 nan 0.78 nan nan nan nan nan 3.274038688e+03 nan nan 3.828185144e+03 nan 0.80 nan nan nan nan nan 2.987459795e+03 nan nan 3.493601232e+03 nan 0.82 nan nan nan nan nan 2.728730905e+03 nan nan 3.192687837e+03 nan 0.84 nan nan nan 6.178698106e+03 6.178070074e+03 2.494427546e+03 nan nan 2.921413634e+03 4.136755850e+03 0.86 nan 3.788983197e+03 nan 5.698660542e+03 5.698356388e+03 2.282097366e+03 3.859616526e+03 nan 2.676156580e+03 3.800989250e+03 0.88 nan 3.483651826e+03 nan 5.261849850e+03 5.261976137e+03 2.089532279e+03 3.549919842e+03 nan 2.453828387e+03 3.497134631e+03 0.90 nan 3.206064996e+03 nan 4.863552994e+03 4.864042848e+03 1.914688428e+03 3.268509414e+03 nan 2.251815852e+03 3.221468693e+03 0.92 nan 2.953213614e+03 nan 4.499836948e+03 4.500519051e+03 1.755499413e+03 3.012468300e+03 nan 2.068022770e+03 2.970802018e+03 0.94 nan 2.722683692e+03 nan 4.167204562e+03 4.167928344e+03 1.610376424e+03 2.779268035e+03 nan 1.900455108e+03 2.742126465e+03 0.96 3.862162372e+03 2.512319723e+03 3.483528161e+03 3.862608994e+03 3.863243275e+03 1.478115149e+03 2.566569175e+03 3.595960963e+03 1.747364480e+03 2.532941863e+03 0.98 3.582947981e+03 2.320037735e+03 3.227553384e+03 3.583247394e+03 3.583629071e+03 1.357360331e+03 2.372082262e+03 3.333619180e+03 1.607148871e+03 2.341365213e+03 1.00 3.326618779e+03 2.143707265e+03 2.992442537e+03 3.326678822e+03 3.326707059e+03 1.247032586e+03 2.193968651e+03 3.092706854e+03 1.478550274e+03 2.165641049e+03 1.02 3.090848193e+03 1.981660502e+03 2.776303888e+03 3.090725003e+03 3.090433569e+03 1.146151218e+03 2.030580927e+03 2.871194137e+03 1.360504472e+03 2.004083126e+03 1.04 2.873642837e+03 1.832618551e+03 2.577501971e+03 2.873368064e+03 2.872910837e+03 1.053932501e+03 1.880391634e+03 2.667240758e+03 1.251962396e+03 1.855253200e+03 1.06 2.673167300e+03 1.695539163e+03 2.394587533e+03 2.672861332e+03 2.672415074e+03 9.697100958e+02 1.742026779e+03 2.479200106e+03 1.152016127e+03 1.717833808e+03 1.08 2.488137437e+03 1.569364971e+03 2.226261673e+03 2.487783754e+03 2.487390784e+03 8.928743552e+02 1.614205625e+03 2.305735601e+03 1.059970815e+03 1.590978460e+03 1.10 2.317277926e+03 1.453089961e+03 2.071246986e+03 2.316860531e+03 2.316539129e+03 8.228209735e+02 1.495951690e+03 2.145543093e+03 9.752158565e+02 1.473837917e+03 1.12 2.159170763e+03 1.345816017e+03 1.928160247e+03 2.158813251e+03 2.158603000e+03 7.588995024e+02 1.386400660e+03 1.997353928e+03 8.971516211e+02 1.365427509e+03 1.14 2.012727330e+03 1.246786723e+03 1.795928218e+03 2.012548489e+03 2.012475142e+03 7.006193004e+02 1.284849791e+03 1.860150068e+03 8.252446227e+02 1.265029121e+03 1.16 1.876968004e+03 1.155296195e+03 1.673524071e+03 1.876980148e+03 1.877049307e+03 6.474922328e+02 1.190607754e+03 1.733081967e+03 7.589833487e+02 1.171983910e+03 1.18 1.751008041e+03 1.070621719e+03 1.559861127e+03 1.751209477e+03 1.751416635e+03 5.988693665e+02 1.103049014e+03 1.615373593e+03 6.979397356e+02 1.085624419e+03 1.20 1.634134692e+03 9.921734764e+02 1.454088600e+03 1.634481440e+03 1.634777216e+03 5.542623823e+02 1.021659606e+03 1.506303246e+03 6.417340886e+02 1.005452277e+03 1.22 1.525716083e+03 9.193165309e+02 1.355474647e+03 1.526093951e+03 1.526388826e+03 5.132541275e+02 9.459580979e+02 1.405126024e+03 5.900092585e+02 9.310106912e+02 1.24 1.425130841e+03 8.514120435e+02 1.263537637e+03 1.425396365e+03 1.425615070e+03 4.755516528e+02 8.755439544e+02 1.311073571e+03 5.423683161e+02 8.618780507e+02 1.26 1.331486658e+03 7.880087195e+02 1.177891725e+03 1.331629949e+03 1.331765568e+03 4.408990414e+02 8.100623941e+02 1.223438932e+03 4.984805852e+02 7.976808172e+02 1.28 1.244153957e+03 7.287501037e+02 1.098065301e+03 1.244195385e+03 1.244248005e+03 4.090670997e+02 7.491777070e+02 1.141640478e+03 4.580419604e+02 7.380758756e+02 1.30 1.162583006e+03 6.733255116e+02 1.023607224e+03 1.162546434e+03 1.162514314e+03 3.798382125e+02 6.925582722e+02 1.065151160e+03 4.207816578e+02 6.827530518e+02 1.32 1.086244768e+03 6.214857612e+02 9.540276838e+02 1.086150944e+03 1.086057826e+03 3.529286208e+02 6.398750577e+02 9.934899838e+02 3.864876686e+02 6.314280683e+02 1.34 1.014632658e+03 5.730142704e+02 8.889290694e+02 1.014519527e+03 1.014412246e+03 3.281027275e+02 5.908576876e+02 9.262454879e+02 3.549624461e+02 5.838039005e+02 1.36 9.473428746e+02 5.277177127e+02 8.279660128e+02 9.472651750e+02 9.471991493e+02 3.051525856e+02 5.452600256e+02 8.631486462e+02 3.259822197e+02 5.395191257e+02 1.38 8.841097960e+02 4.854260239e+02 7.708169072e+02 8.841109525e+02 8.841277202e+02 2.838852755e+02 5.028548863e+02 8.039615017e+02 2.993199972e+02 4.983609338e+02 1.40 8.247002343e+02 4.459781113e+02 7.171770760e+02 8.247852417e+02 8.248835368e+02 2.641134090e+02 4.634363899e+02 7.484334527e+02 2.747853789e+02 4.601468719e+02 1.42 7.689141397e+02 4.092040339e+02 6.667549635e+02 7.690662048e+02 7.692270373e+02 2.456523398e+02 4.268144308e+02 6.963388266e+02 2.521681075e+02 4.247201462e+02 1.44 7.165644772e+02 3.749227160e+02 6.192914431e+02 7.167562460e+02 7.169511039e+02 2.283423605e+02 3.927919333e+02 6.474884435e+02 2.313067203e+02 3.919317021e+02 1.46 6.674725916e+02 3.429687981e+02 5.746095950e+02 6.676703465e+02 6.678643545e+02 2.120962149e+02 3.612149467e+02 6.016891812e+02 2.120714207e+02 3.616359818e+02 1.48 6.213550377e+02 3.131947687e+02 5.325586745e+02 6.215470895e+02 6.217286498e+02 1.968421889e+02 3.319555917e+02 5.586928343e+02 1.943363631e+02 3.335845113e+02 1.50 5.780069165e+02 2.854737221e+02 4.930068917e+02 5.781847196e+02 5.783494892e+02 1.825194277e+02 3.048662944e+02 5.183170688e+02 1.779572303e+02 3.075979209e+02 1.52 5.372582848e+02 2.596903589e+02 4.558229807e+02 5.374132437e+02 5.375571534e+02 1.690660697e+02 2.797708209e+02 4.803977458e+02 1.628137690e+02 2.835244281e+02 1.54 4.989488900e+02 2.357367404e+02 4.208852073e+02 4.990744304e+02 4.991938066e+02 1.564247730e+02 2.565282834e+02 4.447821285e+02 1.487966573e+02 2.612177148e+02 1.56 4.629288260e+02 2.135136650e+02 3.880822406e+02 4.630222376e+02 4.631137537e+02 1.445434465e+02 2.350060997e+02 4.113345297e+02 1.358078048e+02 2.405376275e+02 1.58 4.290597596e+02 1.929325256e+02 3.573192326e+02 4.291179821e+02 4.291778413e+02 1.333842231e+02 2.150292906e+02 3.799368448e+02 1.237747708e+02 2.213535477e+02 1.60 3.972131391e+02 1.739092179e+02 3.285095682e+02 3.972329761e+02 3.972572451e+02 1.229093353e+02 1.964746416e+02 3.504512206e+02 1.126343829e+02 2.035390277e+02 1.62 3.672748456e+02 1.563657703e+02 3.015787278e+02 3.672526462e+02 3.672369371e+02 1.130812530e+02 1.792582617e+02 3.227633296e+02 1.023274192e+02 1.869732980e+02 1.64 3.391230610e+02 1.402237416e+02 2.764404919e+02 3.390602796e+02 3.390046946e+02 1.038668904e+02 1.633030813e+02 2.967756908e+02 9.279951524e+01 1.715342741e+02 1.66 3.126288701e+02 1.253938680e+02 2.529920408e+02 3.125427124e+02 3.124615074e+02 9.523749954e+01 1.485350822e+02 2.723903867e+02 8.400229248e+01 1.571189418e+02 1.68 2.877179620e+02 1.118070548e+02 2.311638858e+02 2.876284807e+02 2.875400728e+02 8.716857112e+01 1.348836006e+02 2.495359117e+02 7.589298325e+01 1.436674963e+02 1.70 2.643263885e+02 9.939766511e+01 2.108949229e+02 2.642543696e+02 2.641807961e+02 7.963999305e+01 1.222762900e+02 2.281430657e+02 6.841955040e+01 1.311246703e+02 1.72 2.423839598e+02 8.810448770e+01 1.920556431e+02 2.423364817e+02 2.422862058e+02 7.259762904e+01 1.106333104e+02 2.081457509e+02 6.153383087e+01 1.194383124e+02 1.74 2.218249482e+02 7.787008800e+01 1.745368348e+02 2.217995003e+02 2.217714776e+02 6.599608460e+01 9.989064370e+01 1.894827960e+02 5.519512883e+01 1.085592913e+02 1.76 2.025882247e+02 6.860257910e+01 1.582698533e+02 2.025820151e+02 2.025746293e+02 5.981372549e+01 8.998839278e+01 1.720978697e+02 4.936244206e+01 9.844140521e+01 1.78 1.846171785e+02 6.021937223e+01 1.431940086e+02 1.846281962e+02 1.846389709e+02 5.403450767e+01 8.086843377e+01 1.559409435e+02 4.399939317e+01 8.904129848e+01 1.80 1.678596881e+02 5.266038015e+01 1.292451773e+02 1.678850469e+02 1.679104058e+02 4.863948925e+01 7.247340016e+01 1.409668136e+02 3.907177326e+01 8.031856061e+01 1.82 1.522699016e+02 4.585721890e+01 1.163608074e+02 1.523049289e+02 1.523399563e+02 4.361051501e+01 6.474810944e+01 1.271192068e+02 3.454651633e+01 7.224244211e+01 1.84 1.378054525e+02 3.973299831e+01 1.044806930e+02 1.378436536e+02 1.378818548e+02 3.893081024e+01 5.763948949e+01 1.143320435e+02 3.038430458e+01 6.478183653e+01 1.86 1.244272390e+02 3.422734686e+01 9.354692137e+01 1.244606679e+02 1.244940967e+02 3.458496579e+01 5.109868978e+01 1.025623705e+02 2.655593952e+01 5.790463828e+01 1.88 1.120986908e+02 2.928146943e+01 8.350382230e+01 1.121192387e+02 1.121397867e+02 3.055892374e+01 4.508759707e+01 9.172683896e+01 2.303383083e+01 5.158068831e+01 1.90 1.007187479e+02 2.483806411e+01 7.429791923e+01 1.007251044e+02 1.007314608e+02 2.683996356e+01 3.957291105e+01 8.175383211e+01 1.979745888e+01 4.575939268e+01 1.92 9.020672982e+01 2.085390558e+01 6.587849780e+01 9.020191177e+01 9.019709371e+01 2.341760872e+01 3.452429306e+01 7.259463452e+01 1.683286164e+01 4.039797373e+01 1.94 8.051491334e+01 1.729338815e+01 5.819799056e+01 8.050240991e+01 8.048990648e+01 2.028426789e+01 2.991543657e+01 6.420178063e+01 1.412576042e+01 3.546562763e+01 1.96 7.159721672e+01 1.412232637e+01 5.120944120e+01 7.158107615e+01 7.156493559e+01 1.743149487e+01 2.572019467e+01 5.652938784e+01 1.166327336e+01 3.093352345e+01 1.98 6.341127338e+01 1.130531484e+01 4.486783697e+01 6.339578884e+01 6.338030430e+01 1.485202068e+01 2.191298160e+01 4.953590001e+01 9.434093004e+00 2.677774874e+01 2.00 5.592097153e+01 8.809416740e+00 3.912485832e+01 5.590906560e+01 5.589715966e+01 1.253439598e+01 1.846368418e+01 4.318174659e+01 7.427216800e+00 2.298178075e+01 2.02 4.908578228e+01 6.600926536e+00 3.390850841e+01 4.907778996e+01 4.906979763e+01 1.043631349e+01 1.534007678e+01 3.742567332e+01 5.618679149e+00 1.952336682e+01 2.04 4.286556686e+01 4.646811916e+00 2.917937853e+01 4.286134895e+01 4.285713105e+01 8.539108192e+00 1.252008025e+01 3.222727212e+01 3.991312960e+00 1.638041109e+01 2.06 3.722120211e+01 2.914886863e+00 2.490502434e+01 3.722060884e+01 3.722001556e+01 6.829915801e+00 9.982827223e+00 2.754717759e+01 2.533429530e+00 1.353175709e+01 2.08 3.211455321e+01 1.377233477e+00 2.105382279e+01 3.211742348e+01 3.212029375e+01 5.296091152e+00 7.706292882e+00 2.334703953e+01 1.234054665e+00 1.095717396e+01 2.10 2.750844755e+01 1.584317890e-02 1.759494148e+01 2.751460826e+01 2.752076897e+01 3.925198608e+00 5.669909300e+00 1.958949665e+01 8.291514389e-02 8.637343154e+00 2.12 2.336664976e+01 -1.185054670e+00 1.449830958e+01 2.337591505e+01 2.338518033e+01 2.705002888e+00 3.856038086e+00 1.623815148e+01 -9.295742277e-01 6.553845747e+00 2.14 1.965383783e+01 -2.240508661e+00 1.173459034e+01 1.966600833e+01 1.967817883e+01 1.623460330e+00 2.248503445e+00 1.325765968e+01 -1.812323000e+00 4.689150221e+00 2.16 1.633558027e+01 -3.164870867e+00 9.275155300e+00 1.635044242e+01 1.636530457e+01 6.687106375e-01 8.293608185e-01 1.061556033e+01 -2.573576915e+00 3.026600745e+00 2.18 1.337831445e+01 -3.971820892e+00 7.092059994e+00 1.339563977e+01 1.341296509e+01 -1.709308413e-01 -4.182951019e-01 8.277662520e+00 -3.221435970e+00 1.550405949e+00 2.20 1.074932592e+01 -4.674388444e+00 5.158021343e+00 1.076887037e+01 1.078841483e+01 -9.069802548e-01 -1.508340273e+00 6.206125489e+00 -3.776447178e+00 2.456281715e-01 2.22 8.418821858e+00 -5.283681570e+00 3.447873742e+00 8.439803378e+00 8.460784899e+00 -1.550791729e+00 -2.451776387e+00 4.368313654e+00 -4.253705389e+00 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