# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Maisel-S-B-Ko-W-S-Zhang-J-L-et-al--V-Ni-Ti # implementation = 2017--Maisel-S-B--V-Ni-Ti--LAMMPS--ipr1 # composition = V # 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 7.828321101e+01 nan nan nan nan 0.80 nan nan nan nan nan 7.383917663e+01 nan nan nan nan 0.82 nan nan nan nan nan 6.962201572e+01 nan nan 1.219100581e+02 nan 0.84 nan nan nan nan nan 6.562032898e+01 nan nan 1.143138970e+02 nan 0.86 nan nan nan nan nan 6.182330707e+01 nan nan 1.071429297e+02 nan 0.88 nan nan nan nan nan 5.822069839e+01 nan nan 1.003743739e+02 nan 0.90 nan 1.967951139e+02 nan nan nan 5.480277879e+01 nan nan 9.398664724e+01 1.334610812e+02 0.92 nan 1.853065067e+02 nan nan nan 5.156032289e+01 1.611144024e+02 nan 8.795930402e+01 1.257658202e+02 0.94 nan 1.744136135e+02 nan nan nan 4.848457723e+01 1.516297719e+02 nan 8.227297595e+01 1.184681823e+02 0.96 nan 1.640875086e+02 nan nan nan 4.556723482e+01 1.426438671e+02 nan 7.690931542e+01 1.115485582e+02 0.98 nan 1.543006123e+02 2.025202410e+02 nan nan 4.280041120e+01 1.341318443e+02 nan 7.185094206e+01 1.049882875e+02 1.00 nan 1.450266299e+02 1.915888264e+02 nan 1.882873708e+02 4.017662192e+01 1.260700626e+02 1.793310213e+02 6.708139205e+01 9.876961233e+01 1.02 1.785607419e+02 1.362404939e+02 1.811819464e+02 1.785593235e+02 1.785579051e+02 3.768876118e+01 1.184360260e+02 1.698152302e+02 6.258507006e+01 9.287563440e+01 1.04 1.692772675e+02 1.279183083e+02 1.712760124e+02 1.692758143e+02 1.692743610e+02 3.533008179e+01 1.112083293e+02 1.607461511e+02 5.834720380e+01 8.729027333e+01 1.06 1.604205755e+02 1.200372957e+02 1.618484536e+02 1.604190867e+02 1.604175978e+02 3.309417622e+01 1.043666054e+02 1.521041606e+02 5.435380087e+01 8.199822753e+01 1.08 1.519723138e+02 1.125757465e+02 1.528776737e+02 1.519707886e+02 1.519692635e+02 3.097495865e+01 9.789147663e+01 1.438704627e+02 5.059160791e+01 7.698493663e+01 1.10 1.439148875e+02 1.055129704e+02 1.443430106e+02 1.439133253e+02 1.439117631e+02 2.896664817e+01 9.176450692e+01 1.360270547e+02 4.704807190e+01 7.223654596e+01 1.12 1.362314285e+02 9.882925049e+01 1.362246970e+02 1.362298284e+02 1.362282284e+02 2.706375277e+01 8.596815711e+01 1.285566945e+02 4.371130349e+01 6.773987255e+01 1.14 1.289057658e+02 9.250579840e+01 1.285038226e+02 1.289041273e+02 1.289024887e+02 2.526105429e+01 8.048574208e+01 1.214428697e+02 4.057004222e+01 6.348237290e+01 1.16 1.219223984e+02 8.652471252e+01 1.211622985e+02 1.219207205e+02 1.219190426e+02 2.355359421e+01 7.530138995e+01 1.146697671e+02 3.761362358e+01 5.945211220e+01 1.18 1.152664672e+02 8.086893734e+01 1.141828223e+02 1.152647493e+02 1.152630314e+02 2.193666016e+01 7.040000320e+01 1.082222444e+02 3.483194781e+01 5.563773514e+01 1.20 1.089237302e+02 7.552222490e+01 1.075488451e+02 1.089219714e+02 1.089202127e+02 2.040577329e+01 6.576722164e+01 1.020858021e+02 3.221545030e+01 5.202843800e+01 1.22 1.028805368e+02 7.046909788e+01 1.012445398e+02 1.028787364e+02 1.028769361e+02 1.895667618e+01 6.138938709e+01 9.624655751e+01 2.975507356e+01 4.861394218e+01 1.24 9.712380460e+01 6.569481432e+01 9.525477052e+01 9.712196188e+01 9.712011915e+01 1.758532153e+01 5.725350984e+01 9.069121888e+01 2.744224067e+01 4.538446892e+01 1.26 9.164099611e+01 6.118533397e+01 8.956506348e+01 9.163911023e+01 9.163722434e+01 1.628786139e+01 5.334723652e+01 8.540706128e+01 2.526883006e+01 4.233071533e+01 1.28 8.642009688e+01 5.692728603e+01 8.416157895e+01 8.641816704e+01 8.641623721e+01 1.506063703e+01 4.965881969e+01 8.038190309e+01 2.322715167e+01 3.944383146e+01 1.30 8.144959430e+01 5.290793845e+01 7.903108440e+01 8.144761973e+01 8.144564516e+01 1.390016934e+01 4.617708868e+01 7.560408350e+01 2.130992432e+01 3.671539852e+01 1.32 7.671845738e+01 4.911516849e+01 7.416092881e+01 7.671643728e+01 7.671441718e+01 1.280314967e+01 4.289142197e+01 7.106244103e+01 1.951025431e+01 3.413740819e+01 1.34 7.221611718e+01 4.553743472e+01 6.953901795e+01 7.221405076e+01 7.221198433e+01 1.176643133e+01 3.979172079e+01 6.674629278e+01 1.782161505e+01 3.170224284e+01 1.36 6.793244813e+01 4.216375012e+01 6.515379073e+01 6.793033459e+01 6.792822104e+01 1.078702135e+01 3.686838396e+01 6.264541459e+01 1.623782786e+01 2.940265675e+01 1.38 6.385775003e+01 3.898365653e+01 6.099419654e+01 6.385558856e+01 6.385342709e+01 9.862072837e+00 3.411228400e+01 5.875002204e+01 1.475304369e+01 2.723175819e+01 1.40 5.998273077e+01 3.598720014e+01 5.704967346e+01 5.998052058e+01 5.997831039e+01 8.988877630e+00 3.151474428e+01 5.505075213e+01 1.336172582e+01 2.518299241e+01 1.42 5.629848974e+01 3.316490816e+01 5.331012748e+01 5.629623003e+01 5.629397033e+01 8.164859417e+00 2.906751734e+01 5.153864576e+01 1.205863352e+01 2.325012542e+01 1.44 5.279650194e+01 3.050776647e+01 4.976591248e+01 5.279419192e+01 5.279188191e+01 7.387567178e+00 2.676276419e+01 4.820513091e+01 1.083880644e+01 2.142722852e+01 1.46 4.946860262e+01 2.800719834e+01 4.640781109e+01 4.946624151e+01 4.946388040e+01 6.654668979e+00 2.459303459e+01 4.504200650e+01 9.697549959e+00 1.970866361e+01 1.48 4.630697266e+01 2.565504404e+01 4.322701636e+01 4.630455966e+01 4.630214666e+01 5.963946097e+00 2.255124827e+01 4.204142694e+01 8.630421192e+00 1.808906920e+01 1.50 4.330412440e+01 2.344354144e+01 4.021511415e+01 4.330165873e+01 4.329919307e+01 5.313287455e+00 2.063067711e+01 3.919588723e+01 7.633215776e+00 1.656334707e+01 1.52 4.045288812e+01 2.136530745e+01 3.736406626e+01 4.045036902e+01 4.044784992e+01 4.700684338e+00 1.882492805e+01 3.649820872e+01 6.701955339e+00 1.512664958e+01 1.54 3.774639907e+01 1.941332028e+01 3.466619434e+01 3.774382577e+01 3.774125246e+01 4.124225395e+00 1.712792690e+01 3.394152551e+01 5.832875615e+00 1.377436758e+01 1.56 3.517808493e+01 1.758090257e+01 3.211416434e+01 3.517545666e+01 3.517282839e+01 3.582091893e+00 1.553390291e+01 3.151927123e+01 5.022415195e+00 1.250211894e+01 1.58 3.274165383e+01 1.586170521e+01 2.970097171e+01 3.273896986e+01 3.273628588e+01 3.072553221e+00 1.403737403e+01 2.922516657e+01 4.267204852e+00 1.130573755e+01 1.60 3.043108287e+01 1.424969194e+01 2.741992719e+01 3.042834246e+01 3.042560205e+01 2.593962624e+00 1.263313293e+01 2.705320716e+01 3.564057429e+00 1.018126293e+01 1.62 2.824060705e+01 1.273912463e+01 2.526464320e+01 2.823780949e+01 2.823501193e+01 2.144753161e+00 1.131623366e+01 2.499765203e+01 2.909958256e+00 9.124930292e+00 1.64 2.616470867e+01 1.132454925e+01 2.322902077e+01 2.616185325e+01 2.615899784e+01 1.723433866e+00 1.008197892e+01 2.305301250e+01 2.302056071e+00 8.133161089e+00 1.66 2.419810711e+01 1.000078248e+01 2.130723708e+01 2.419519316e+01 2.419227921e+01 1.328586112e+00 8.925907997e+00 2.121404156e+01 1.737654403e+00 7.202554009e+00 1.68 2.233574911e+01 8.762898870e+00 1.949373343e+01 2.233277596e+01 2.232980282e+01 9.588601542e-01 7.843785245e+00 1.947572365e+01 1.214203425e+00 6.329876417e+00 1.70 2.057279935e+01 7.606218700e+00 1.778320384e+01 2.056976637e+01 2.056673339e+01 6.129718574e-01 6.831589092e+00 1.783326490e+01 7.292922103e-01 5.512056195e+00 1.72 1.890463146e+01 6.526296285e+00 1.617058401e+01 1.890153803e+01 1.889844460e+01 2.896995881e-01 5.885501623e+00 1.628208372e+01 2.806414160e-01 4.746173980e+00 1.74 1.732681935e+01 5.518908878e+00 1.465104083e+01 1.732366489e+01 1.732051042e+01 -1.211873605e-02 5.001898625e+00 1.481780182e+01 -1.339036694e-01 4.029455767e+00 1.76 1.583512894e+01 4.580046066e+00 1.321996226e+01 1.583191289e+01 1.582869683e+01 -2.935884438e-01 4.177340123e+00 1.343623560e+01 -5.163797039e-01 3.359265871e+00 1.78 1.442551019e+01 3.705899652e+00 1.187294773e+01 1.442223202e+01 1.441895385e+01 -5.557607649e-01 3.408561371e+00 1.213338784e+01 -8.687115291e-01 2.733100231e+00 1.80 1.309408944e+01 2.892854003e+00 1.060579886e+01 1.309074866e+01 1.308740788e+01 -7.996353512e-01 2.692464263e+00 1.090543982e+01 -1.192718082e+00 2.148580021e+00 1.82 1.183716208e+01 2.137476844e+00 9.414510616e+00 1.183375825e+01 1.183035441e+01 -1.026162665e+00 2.026109172e+00 9.748743677e+00 -1.490117997e+00 1.603445587e+00 1.84 1.065118553e+01 1.436510471e+00 8.295262820e+00 1.064771823e+01 1.064425094e+01 -1.236246249e+00 1.406707167e+00 8.659815142e+00 -1.762534910e+00 1.095550655e+00 1.86 9.532772471e+00 7.868633793e-01 7.244412047e+00 9.529241348e+00 9.525710225e+00 -1.430744874e+00 8.316126101e-01 7.635326543e+00 -2.011502496e+00 6.228568341e-01 1.88 8.478684359e+00 1.856022699e-01 6.258483845e+00 8.475089092e+00 8.471493825e+00 -1.610474584e+00 2.983161104e-01 6.672100113e+00 -2.238469229e+00 1.834283694e-01 1.90 7.485825209e+00 -3.700555695e-01 5.334165287e+00 7.482165535e+00 7.478505862e+00 -1.776210625e+00 -1.955621869e-01 5.767101567e+00 -2.444802903e+00 -2.245728444e-01 1.92 6.551235630e+00 -8.827495316e-01 4.468297850e+00 6.547511343e+00 6.543787055e+00 -1.928689283e+00 -6.522789865e-01 4.917433950e+00 -2.631794912e+00 -6.028920140e-01 1.94 5.672087099e+00 -1.354982618e+00 3.657870587e+00 5.668298050e+00 5.664509001e+00 -2.068609617e+00 -1.073973921e+00 4.120331738e+00 -2.800664303e+00 -9.531859687e-01 1.96 4.845676462e+00 -1.789128049e+00 2.900013600e+00 4.841822569e+00 4.837968676e+00 -2.196635108e+00 -1.462675340e+00 3.373155186e+00 -2.952561624e+00 -1.277027467e+00 1.98 4.069420670e+00 -2.187435561e+00 2.191991781e+00 4.065501918e+00 4.061583166e+00 -2.313395212e+00 -1.820305812e+00 2.673384910e+00 -3.088572560e+00 -1.575909294e+00 2.00 3.340851717e+00 -2.552037410e+00 1.531198831e+00 3.336868166e+00 3.332884616e+00 -2.419486839e+00 -2.148687370e+00 2.018616691e+00 -3.209721387e+00 -1.851248163e+00 2.02 2.657611792e+00 -2.884954105e+00 9.151515296e-01 2.653563581e+00 2.649515371e+00 -2.515475739e+00 -2.449546499e+00 1.406556504e+00 -3.316974239e+00 -2.104388430e+00 2.04 2.017448628e+00 -3.188099857e+00 3.414842492e-01 2.013335979e+00 2.009223331e+00 -2.601897823e+00 -2.724518883e+00 8.350157461e-01 -3.411242204e+00 -2.336605629e+00 2.06 1.418211035e+00 -3.463287787e+00 -1.920562923e-01 1.414034259e+00 1.409857484e+00 -2.679260402e+00 -2.975153922e+00 3.019066675e-01 -3.493384257e+00 -2.549109842e+00 2.08 8.578446171e-01 -3.712234878e+00 -6.876160551e-01 8.536041228e-01 8.493636285e-01 -2.748043357e+00 -3.202919033e+00 -1.947620072e-01 -3.564210043e+00 -2.743048895e+00 2.10 3.343876729e-01 -3.936566707e+00 -1.147238484e+00 3.300839680e-01 3.257802631e-01 -2.808700243e+00 -3.409203738e+00 -6.568892745e-01 -3.624482503e+00 -2.919511418e+00 2.12 -1.540327496e-01 -4.137821942e+00 -1.572869109e+00 -1.583990488e-01 -1.627653480e-01 -2.861659328e+00 -3.595323561e+00 -1.086285872e+00 -3.674920372e+00 -3.079529741e+00 2.14 -6.092046278e-01 -4.317456632e+00 -1.966359948e+00 -6.136327904e-01 -6.180609530e-01 -2.907324379e+00 -3.762523729e+00 -1.484678128e+00 -3.716200538e+00 -3.224082664e+00 2.16 -1.032834587e+00 -4.476848301e+00 -2.329473717e+00 -1.037323760e+00 -1.041812934e+00 -2.946074114e+00 -3.911982696e+00 -1.853711654e+00 -3.748960279e+00 -3.354098083e+00 2.18 -1.426551376e+00 -4.617299831e+00 -2.663887859e+00 -1.431100578e+00 -1.435649781e+00 -2.978270517e+00 -4.044815498e+00 -2.194954878e+00 -3.773799378e+00 -3.470455499e+00 2.20 -1.791909195e+00 -4.740043180e+00 -2.971198404e+00 -1.796517309e+00 -1.801125422e+00 -3.004248372e+00 -4.162076940e+00 -2.509902429e+00 -3.791282130e+00 -3.573988398e+00 2.22 -2.130390896e+00 -4.846242914e+00 -3.252923652e+00 -2.135056657e+00 -2.139722418e+00 -3.024322572e+00 -4.264764634e+00 -2.799978382e+00 -3.801939240e+00 -3.665486524e+00 2.24 -2.443411039e+00 -4.936999568e+00 -3.510507702e+00 -2.448133031e+00 -2.452855023e+00 -3.038788202e+00 -4.353821883e+00 -3.066539365e+00 -3.806269622e+00 -3.745698038e+00 2.26 -2.732318836e+00 -5.013352851e+00 -3.745323832e+00 -2.737095479e+00 -2.741872121e+00 -3.047920776e+00 -4.430140427e+00 -3.310877533e+00 -3.804742087e+00 -3.815331572e+00 2.28 -2.998400960e+00 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