# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Kavousi-S-Novak-B-R-Baskes-M-I-et-al--Ni-Ti # implementation = 2019--Kavousi-S--Ni-Ti--LAMMPS--ipr1 # composition = Ni # 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 2024-11-27 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 2.101934623e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.964502790e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.835412378e+02 nan nan 2.142808245e+02 nan 0.84 nan nan nan nan nan 1.714178982e+02 nan nan 1.989423390e+02 nan 0.86 nan nan nan nan nan 1.600345414e+02 nan nan 1.846308987e+02 nan 0.88 nan nan nan nan nan 1.493480216e+02 nan nan 1.712800118e+02 nan 0.90 nan 3.207016538e+02 nan nan nan 1.393176250e+02 nan nan 1.588273962e+02 2.153676406e+02 0.92 nan 2.964308095e+02 nan nan nan 1.299049367e+02 2.537633719e+02 nan 1.472147181e+02 2.010548415e+02 0.94 nan 2.738727202e+02 nan nan nan 1.210737143e+02 2.354725398e+02 nan 1.363873453e+02 1.876212568e+02 0.96 nan 2.529112885e+02 nan nan nan 1.127897688e+02 2.184124038e+02 nan 1.262941170e+02 1.750152533e+02 0.98 nan 2.334380543e+02 3.258533178e+02 nan nan 1.050208512e+02 2.025030187e+02 nan 1.168871270e+02 1.631881313e+02 1.00 nan 2.153517052e+02 3.030119922e+02 nan 3.140725529e+02 9.773654590e+01 1.876695123e+02 2.930008856e+02 1.081215199e+02 1.520939618e+02 1.02 2.931939405e+02 1.985576170e+02 2.816638078e+02 2.931479507e+02 2.931019609e+02 9.090816927e+01 1.738417689e+02 2.729605732e+02 9.995530127e+01 1.416894333e+02 1.04 2.735185377e+02 1.829674235e+02 2.617149704e+02 2.734738769e+02 2.734292162e+02 8.450867408e+01 1.609541332e+02 2.541883593e+02 9.234915768e+01 1.319337074e+02 1.06 2.550642918e+02 1.684986128e+02 2.430774077e+02 2.550209246e+02 2.549775574e+02 7.851255868e+01 1.489451311e+02 2.366075956e+02 8.526628920e+01 1.227882806e+02 1.08 2.377588259e+02 1.550741501e+02 2.256684292e+02 2.377167176e+02 2.376746093e+02 7.289578155e+01 1.377572087e+02 2.201461088e+02 7.867225157e+01 1.142168551e+02 1.10 2.215339055e+02 1.426221232e+02 2.094104052e+02 2.214930224e+02 2.214521393e+02 6.763568008e+01 1.273364873e+02 2.047359473e+02 7.253480839e+01 1.061852163e+02 1.12 2.063252081e+02 1.310754108e+02 1.942304641e+02 2.062855173e+02 2.062458265e+02 6.271089384e+01 1.176325323e+02 1.903131405e+02 6.682379219e+01 9.866111594e+01 1.14 1.920721063e+02 1.203713721e+02 1.800602086e+02 1.920335757e+02 1.919950452e+02 5.810129222e+01 1.085981384e+02 1.768174736e+02 6.151097447e+01 9.161416307e+01 1.16 1.787174610e+02 1.104515555e+02 1.668354471e+02 1.786800595e+02 1.786426580e+02 5.378790566e+01 1.001891260e+02 1.641922728e+02 5.656994335e+01 8.501571986e+01 1.18 1.662074272e+02 1.012614262e+02 1.544959420e+02 1.661711244e+02 1.661348215e+02 4.975286082e+01 9.236415168e+01 1.523842038e+02 5.197598918e+01 7.883880355e+01 1.20 1.544912697e+02 9.275011103e+01 1.429851721e+02 1.544560359e+02 1.544208021e+02 4.597931933e+01 8.508452950e+01 1.413430803e+02 4.770599701e+01 7.305799380e+01 1.22 1.435211889e+02 8.487015938e+01 1.322501093e+02 1.434869952e+02 1.434528016e+02 4.245141961e+01 7.831406375e+01 1.310216848e+02 4.373834581e+01 6.764934470e+01 1.24 1.332521562e+02 7.757731936e+01 1.222410083e+02 1.332189745e+02 1.331857928e+02 3.915422216e+01 7.201889204e+01 1.213755976e+02 4.005281398e+01 6.259030211e+01 1.26 1.236417584e+02 7.083032842e+01 1.129112085e+02 1.236095613e+02 1.235773642e+02 3.607365769e+01 6.616733802e+01 1.123630365e+02 3.663049071e+01 5.785962518e+01 1.28 1.146500504e+02 6.459071717e+01 1.042169479e+02 1.146188111e+02 1.145875719e+02 3.319647802e+01 6.072977322e+01 1.039447051e+02 3.345369282e+01 5.343731218e+01 1.30 1.062394161e+02 5.882262584e+01 9.611718785e+01 1.062091087e+02 1.061788013e+02 3.051020986e+01 5.567848760e+01 9.608364956e+01 3.050588688e+01 4.930453068e+01 1.32 9.837443726e+01 5.349263249e+01 8.857344823e+01 9.834503635e+01 9.831563544e+01 2.800311096e+01 5.098756805e+01 8.874512339e+01 2.777161608e+01 4.544355124e+01 1.34 9.102176877e+01 4.856959219e+01 8.154965206e+01 9.099324966e+01 9.096473056e+01 2.566412869e+01 4.663278440e+01 8.189645986e+01 2.523643172e+01 4.183768488e+01 1.36 8.415002161e+01 4.402448663e+01 7.501197981e+01 8.412236024e+01 8.409469887e+01 2.348286103e+01 4.259148273e+01 7.550695162e+01 2.288682903e+01 3.847122415e+01 1.38 7.772965158e+01 3.983028331e+01 6.892873196e+01 7.770282452e+01 7.767599745e+01 2.144951953e+01 3.884248508e+01 6.954773699e+01 2.071018686e+01 3.532938716e+01 1.40 7.173285462e+01 3.596180390e+01 6.327019985e+01 7.170683902e+01 7.168082343e+01 1.955489439e+01 3.536599556e+01 6.399169278e+01 1.869471131e+01 3.239826493e+01 1.42 6.613346777e+01 3.239560104e+01 5.800854436e+01 6.610824140e+01 6.608301504e+01 1.779032153e+01 3.214351238e+01 5.881333305e+01 1.682938282e+01 2.966477160e+01 1.44 6.090687543e+01 2.910984308e+01 5.311768150e+01 6.088241663e+01 6.085795783e+01 1.614765138e+01 2.915774518e+01 5.398871361e+01 1.510390655e+01 2.711659729e+01 1.46 5.602992109e+01 2.608420642e+01 4.857317512e+01 5.600620875e+01 5.598249641e+01 1.461921942e+01 2.639253774e+01 4.949534198e+01 1.350866590e+01 2.474216378e+01 1.48 5.148082383e+01 2.329977466e+01 4.435213589e+01 5.145783739e+01 5.143485095e+01 1.319781846e+01 2.383279544e+01 4.531209250e+01 1.203467904e+01 2.253058249e+01 1.50 4.723909929e+01 2.073894444e+01 4.043312621e+01 4.721681873e+01 4.719453818e+01 1.187667225e+01 2.146441722e+01 4.141912602e+01 1.067355798e+01 2.047161482e+01 1.52 4.328548542e+01 1.838533730e+01 3.679607112e+01 4.326389124e+01 4.324229706e+01 1.064941082e+01 1.927423191e+01 3.779781447e+01 9.417470470e+00 1.855563479e+01 1.54 3.960187199e+01 1.622371744e+01 3.342217420e+01 3.958094520e+01 3.956001840e+01 9.510046964e+00 1.724993854e+01 3.443066952e+01 8.259104058e+00 1.677359371e+01 1.56 3.617123419e+01 1.423991465e+01 3.029383876e+01 3.615095628e+01 3.613067837e+01 8.452954156e+00 1.538005032e+01 3.130127538e+01 7.191632597e+00 1.511698675e+01 1.58 3.297757005e+01 1.242075248e+01 2.739459368e+01 3.295792301e+01 3.293827597e+01 7.472845710e+00 1.365384227e+01 2.839422544e+01 6.208684796e+00 1.357782156e+01 1.60 3.000584112e+01 1.075398095e+01 2.470902371e+01 2.998680740e+01 2.996777369e+01 6.564755029e+00 1.206130207e+01 2.569506249e+01 5.304314755e+00 1.214858850e+01 1.62 2.724191665e+01 9.228213788e+00 2.222270395e+01 2.722347917e+01 2.720504169e+01 5.724017028e+00 1.059308403e+01 2.319022245e+01 4.472974388e+00 1.082223258e+01 1.64 2.467252091e+01 7.832869789e+00 1.992213840e+01 2.465466303e+01 2.463680514e+01 4.946250597e+00 9.240466005e+00 2.086698130e+01 3.709487610e+00 9.592127021e+00 1.66 2.228518333e+01 6.558117957e+00 1.779470203e+01 2.226788884e+01 2.225059434e+01 4.227341998e+00 7.995308973e+00 1.871340498e+01 3.009026112e+00 8.452048258e+00 1.68 2.006819160e+01 5.394826361e+00 1.582858659e+01 2.005144471e+01 2.003469783e+01 3.563429263e+00 6.850019232e+00 1.671830231e+01 2.367086735e+00 7.396152388e+00 1.70 1.801054735e+01 4.334514316e+00 1.401274949e+01 1.799433271e+01 1.797811807e+01 2.950887443e+00 5.797512969e+00 1.487118053e+01 1.779470256e+00 6.418952935e+00 1.72 1.610192430e+01 3.369307759e+00 1.233686591e+01 1.608622694e+01 1.607052958e+01 2.386314671e+00 4.831183061e+00 1.316220349e+01 1.242261510e+00 5.515299851e+00 1.74 1.433262890e+01 2.491897572e+00 1.079128381e+01 1.431743425e+01 1.430223961e+01 1.866519068e+00 3.944868032e+00 1.158215216e+01 7.518108273e-01 4.680359772e+00 1.76 1.269356304e+01 1.695500695e+00 9.366981661e+00 1.267885693e+01 1.266415081e+01 1.388506344e+00 3.132822949e+00 1.012238754e+01 3.047166141e-01 3.909597331e+00 1.78 1.117618902e+01 9.738237998e-01 8.055528703e+00 1.116195762e+01 1.114772622e+01 9.494681187e-01 2.389692170e+00 8.774815646e+00 -1.021909375e-01 3.198757557e+00 1.80 9.772496424e+00 3.210294340e-01 6.849047768e+00 9.758726295e+00 9.744956167e+00 5.467709300e-01 1.710483878e+00 7.531854586e+00 -4.718650808e-01 2.543849312e+00 1.82 8.474970943e+00 -2.682956192e-01 5.740180226e+00 8.461648995e+00 8.448327046e+00 1.779458318e-01 1.090546177e+00 6.386403521e+00 -8.070567941e-01 1.941129616e+00 1.84 7.276564918e+00 -7.991698231e-01 4.722053178e+00 7.263678404e+00 7.250791890e+00 -1.593213876e-01 5.255447694e-01 5.331813454e+00 -1.110328130e+00 1.387088902e+00 1.86 6.170669650e+00 -1.276244404e+00 3.788248650e+00 6.158206164e+00 6.145742677e+00 -4.671994222e-01 1.144204423e-02 4.361859760e+00 -1.384064693e+00 8.784371349e-01 1.88 5.151089194e+00 -1.703829019e+00 2.932774629e+00 5.139036656e+00 5.126984118e+00 -7.477201661e-01 -4.555225041e-01 3.470716274e+00 -1.630487347e+00 4.120906728e-01 1.90 4.212015755e+00 -2.085915682e+00 2.150037949e+00 4.200362408e+00 4.188709061e+00 -1.002786895e+00 -8.788505767e-01 2.652930936e+00 -1.851663131e+00 -1.484005955e-02 1.92 3.348006458e+00 -2.426201081e+00 1.434818820e+00 3.336740857e+00 3.325475255e+00 -1.234181995e+00 -1.261802205e+00 1.903402863e+00 -2.049515492e+00 -4.050622131e-01 1.94 2.553961424e+00 -2.728107381e+00 7.822469136e-01 2.543072427e+00 2.532183431e+00 -1.443574251e+00 -1.607411791e+00 1.217360776e+00 -2.225833852e+00 -7.611114973e-01 1.96 1.825103194e+00 -2.994801610e+00 1.877789827e-01 1.814579958e+00 1.804056722e+00 -1.632525688e+00 -1.918503089e+00 5.903427117e-01 -2.382282550e+00 -1.085362488e+00 1.98 1.156957269e+00 -3.229213732e+00 -3.528221850e-01 1.146789240e+00 1.136621210e+00 -1.802498044e+00 -2.197703240e+00 1.817690937e-02 -2.520409204e+00 -1.380038375e+00 2.00 5.453338034e-01 -3.434053492e+00 -8.435074862e-01 5.355107067e-01 5.256876100e-01 -1.954858858e+00 -2.447455895e+00 -5.030361476e-01 -2.641652543e+00 -1.647220132e+00 2.02 -1.368960504e-02 -3.611826087e+00 -1.287959967e+00 -2.317776689e-02 -3.266592874e-02 -2.090887183e+00 -2.670033468e+00 -9.769406070e-01 -2.747349703e+00 -1.888855133e+00 2.04 -5.237841829e-01 -3.764846799e+00 -1.689612182e+00 -5.329471403e-01 -5.421100978e-01 -2.211779003e+00 -2.867548627e+00 -1.406941150e+00 -2.838743079e+00 -2.106765302e+00 2.06 -9.883852575e-01 -3.895254590e+00 -2.051662435e+00 -9.972324801e-01 -1.006079703e+00 -2.318652304e+00 -3.041965010e+00 -1.796217925e+00 -2.916986703e+00 -2.302654757e+00 2.08 -1.410706636e+00 -4.005024778e+00 -2.377090008e+00 -1.419247339e+00 -1.427788042e+00 -2.412551855e+00 -3.195107250e+00 -2.147740584e+00 -2.983152221e+00 -2.478117013e+00 2.10 -1.793754186e+00 -4.095980841e+00 -2.668669454e+00 -1.801997337e+00 -1.810240489e+00 -2.494453720e+00 -3.328670362e+00 -2.464281486e+00 -3.038234473e+00 -2.634641774e+00 2.12 -2.140338567e+00 -4.169805391e+00 -2.928983966e+00 -2.148292893e+00 -2.156247219e+00 -2.565269488e+00 -3.444228490e+00 -2.748428099e+00 -3.083156706e+00 -2.773621316e+00 2.14 -2.453087240e+00 -4.228050402e+00 -3.160437913e+00 -2.460761232e+00 -2.468435224e+00 -2.625850264e+00 -3.543243102e+00 -3.002594657e+00 -3.118775446e+00 -2.896356485e+00 2.16 -2.734455779e+00 -4.272146715e+00 -3.365268600e+00 -2.741857699e+00 -2.749259618e+00 -2.676990422e+00 -3.627070646e+00 -3.229033124e+00 -3.145885054e+00 -3.004062367e+00 2.18 -2.986738478e+00 -4.303412889e+00 -3.545557256e+00 -2.993876364e+00 -3.001014249e+00 -2.719431134e+00 -3.696969687e+00 -3.429843465e+00 -3.165221969e+00 -3.097873589e+00 2.20 -3.212078363e+00 -4.323063428e+00 -3.703239349e+00 -3.218960036e+00 -3.225841709e+00 -2.753863690e+00 -3.754107598e+00 -3.606983326e+00 -3.177468685e+00 -3.178849334e+00 2.22 -3.412476606e+00 -4.332216438e+00 -3.840114240e+00 -3.419109675e+00 -3.425742745e+00 -2.780932624e+00 -3.799566792e+00 -3.762277110e+00 -3.183257459e+00 -3.247978046e+00 2.24 -3.589801348e+00 -4.331900736e+00 -3.957854209e+00 -3.596193216e+00 -3.602585085e+00 -2.801238645e+00 -3.834350548e+00 -3.897424495e+00 -3.183173766e+00 -3.306181843e+00 2.26 -3.745796042e+00 -4.323062470e+00 -4.058012928e+00 -3.751953911e+00 -3.758111781e+00 -2.815341406e+00 -3.859388460e+00 -4.014008443e+00 -3.177759541e+00 -3.354320694e+00 2.28 -3.882087264e+00 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