# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Pd # implementation = 2004--Zhou-X-W--Pd--LAMMPS--ipr1 # composition = Pd # 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 1.245981919e+03 nan 0.78 nan nan nan nan nan nan nan nan 1.128821302e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.024066215e+03 nan 0.82 nan nan nan nan nan nan nan nan 9.302081009e+02 nan 0.84 nan nan nan nan nan 7.293299716e+02 nan nan 8.459513896e+02 nan 0.86 nan nan nan nan nan 6.645060486e+02 nan nan 7.701798612e+02 nan 0.88 nan nan nan nan nan 6.061156351e+02 nan nan 7.019207701e+02 nan 0.90 nan nan nan nan nan 5.534326388e+02 nan nan 6.403222094e+02 nan 0.92 nan nan nan nan nan 5.058210407e+02 nan nan 5.846397037e+02 nan 0.94 nan 7.729206371e+02 nan 1.219792346e+03 1.219813335e+03 4.627226689e+02 nan nan 5.342249233e+02 7.851828824e+02 0.96 nan 7.087572328e+02 nan 1.124342654e+03 1.124359961e+03 4.236477345e+02 7.290133994e+02 nan 4.885136999e+02 7.208694931e+02 0.98 nan 6.503779058e+02 nan 1.037220451e+03 1.037233692e+03 3.881665991e+02 6.695740661e+02 nan 4.470125631e+02 6.623350047e+02 1.00 nan 5.971952020e+02 nan 9.575898034e+02 9.576002872e+02 3.559030468e+02 6.154119443e+02 nan 4.092876379e+02 6.089840590e+02 1.02 nan 5.486861139e+02 nan 8.847135692e+02 8.847237335e+02 3.265250941e+02 5.659975178e+02 nan 3.749549561e+02 5.602920547e+02 1.04 nan 5.043883789e+02 nan 8.179370340e+02 8.179495953e+02 2.997383758e+02 5.208574345e+02 nan 3.436742623e+02 5.157991616e+02 1.06 nan 4.638928440e+02 6.727802989e+02 7.566779254e+02 7.566949060e+02 2.752830602e+02 4.795725030e+02 6.977178477e+02 3.151440689e+02 4.751009651e+02 1.08 7.003869750e+02 4.268379823e+02 6.218877497e+02 7.004163962e+02 7.004380898e+02 2.529303057e+02 4.417722452e+02 6.452280914e+02 2.890973418e+02 4.378361082e+02 1.10 6.486572359e+02 3.928997714e+02 5.751354316e+02 6.486896450e+02 6.487143980e+02 2.324797463e+02 4.071286578e+02 5.970022673e+02 2.652965206e+02 4.036797274e+02 1.12 6.010567611e+02 3.617881801e+02 5.321528325e+02 6.010856203e+02 6.011106756e+02 2.137547896e+02 3.753487443e+02 5.526521171e+02 2.435285899e+02 3.723408667e+02 1.14 5.572146941e+02 3.332419695e+02 4.926049158e+02 5.572357484e+02 5.572583766e+02 1.965965472e+02 3.461685696e+02 5.118283494e+02 2.236013271e+02 3.435606369e+02 1.16 5.167971403e+02 3.070272065e+02 4.561866767e+02 5.168093555e+02 5.168273099e+02 1.808600520e+02 3.193512043e+02 4.742164206e+02 2.053416293e+02 3.171093495e+02 1.18 4.795028118e+02 2.829337058e+02 4.226203698e+02 4.795074238e+02 4.795191482e+02 1.664129816e+02 2.946852371e+02 4.395329242e+02 1.885945687e+02 2.927807976e+02 1.20 4.450606293e+02 2.607723184e+02 3.916541953e+02 4.450599375e+02 4.450650433e+02 1.531357642e+02 2.719823139e+02 4.075220158e+02 1.732220886e+02 2.703880691e+02 1.22 4.132263374e+02 2.403731553e+02 3.630599291e+02 4.132231016e+02 4.132228592e+02 1.409206691e+02 2.510732857e+02 3.779535480e+02 1.591007282e+02 2.497604872e+02 1.24 3.837796693e+02 2.215835449e+02 3.366325950e+02 3.837766188e+02 3.837737615e+02 1.296709438e+02 2.318042425e+02 3.506197462e+02 1.461190441e+02 2.307429244e+02 1.26 3.565217786e+02 2.042655518e+02 3.121894823e+02 3.565211786e+02 3.565189704e+02 1.193005487e+02 2.140345407e+02 3.253335934e+02 1.341760185e+02 2.131959873e+02 1.28 3.312729728e+02 1.882938096e+02 2.895680099e+02 3.312766502e+02 3.312778787e+02 1.097334894e+02 1.976365110e+02 3.019258422e+02 1.231805093e+02 1.969958788e+02 1.30 3.078684315e+02 1.735543497e+02 2.686203479e+02 3.078778673e+02 3.078842602e+02 1.009018210e+02 1.824943750e+02 2.802427849e+02 1.130500814e+02 1.820312488e+02 1.32 2.861593420e+02 1.599445336e+02 2.492117361e+02 2.861752472e+02 2.861873432e+02 9.274482089e+01 1.685037774e+02 2.601452497e+02 1.037104961e+02 1.682012030e+02 1.34 2.660113365e+02 1.473718159e+02 2.312183378e+02 2.660329321e+02 2.660501787e+02 8.520715084e+01 1.555699934e+02 2.415073836e+02 9.509460831e+01 1.554127918e+02 1.36 2.473025410e+02 1.357520029e+02 2.145269992e+02 2.473275152e+02 2.473485558e+02 7.823789526e+01 1.436067324e+02 2.242144540e+02 8.714164275e+01 1.435800990e+02 1.38 2.299221389e+02 1.250082774e+02 1.990355262e+02 2.299474880e+02 2.299705038e+02 7.179024176e+01 1.325355141e+02 2.081621297e+02 7.979686741e+01 1.326243151e+02 1.40 2.137681012e+02 1.150706058e+02 1.846514966e+02 2.137911940e+02 2.138142603e+02 6.582117696e+01 1.222846243e+02 1.932549128e+02 7.301069072e+01 1.224731407e+02 1.42 1.987471422e+02 1.058752678e+02 1.712912045e+02 1.987662323e+02 1.987875702e+02 6.029160965e+01 1.127883725e+02 1.794054243e+02 6.673812959e+01 1.130609165e+02 1.44 1.847740334e+02 9.736400568e+01 1.588778090e+02 1.847881534e+02 1.848062529e+02 5.516598566e+01 1.039862953e+02 1.665333219e+02 6.093812453e+01 1.043283101e+02 1.46 1.717704678e+02 8.948275291e+01 1.473401394e+02 1.717791652e+02 1.717928263e+02 5.041190538e+01 9.582282420e+01 1.545643384e+02 5.557286381e+01 9.622174321e+01 1.48 1.596643500e+02 8.218121470e+01 1.366124523e+02 1.596675729e+02 1.596759542e+02 4.599992041e+01 8.824732820e+01 1.434297018e+02 5.060764533e+01 8.869288755e+01 1.50 1.483885366e+02 7.541263688e+01 1.266338770e+02 1.483867750e+02 1.483895109e+02 4.190308275e+01 8.121380130e+01 1.330660020e+02 4.601058540e+01 8.169772635e+01 1.52 1.378810286e+02 6.913417993e+01 1.173481886e+02 1.378753699e+02 1.378726955e+02 3.809675929e+01 7.468053426e+01 1.234151754e+02 4.175249921e+01 7.519630352e+01 1.54 1.280847127e+02 6.330709285e+01 1.087033715e+02 1.280767301e+02 1.280695585e+02 3.455832291e+01 6.860957350e+01 1.144242008e+02 3.780661421e+01 6.915213507e+01 1.56 1.189471939e+02 5.789659984e+01 1.006513415e+02 1.189386428e+02 1.189284829e+02 3.128882123e+01 6.296610914e+01 1.060446823e+02 3.414835888e+01 6.353173580e+01 1.58 1.104207993e+02 5.287141811e+01 9.314814116e+01 1.104132551e+02 1.104019720e+02 2.829220011e+01 5.771822299e+01 9.823222300e+01 3.075526692e+01 5.830431406e+01 1.60 1.024617900e+02 4.820309769e+01 8.615349819e+01 1.024563337e+02 1.024458011e+02 2.554596100e+01 5.283651650e+01 9.094601682e+01 2.760680135e+01 5.344128245e+01 1.62 9.503015821e+01 4.386546412e+01 7.963066882e+01 9.502724920e+01 9.501905495e+01 2.302960521e+01 4.829404303e+01 8.414842360e+01 2.470962330e+01 4.891616381e+01 1.64 8.808895585e+01 3.983425779e+01 7.354585371e+01 8.808859666e+01 8.808388043e+01 2.072434707e+01 4.406615816e+01 7.780458515e+01 2.206358792e+01 4.470435884e+01 1.66 8.160385621e+01 3.608693619e+01 6.786780189e+01 8.160586331e+01 8.160526756e+01 1.861290490e+01 4.013028571e+01 7.188212151e+01 1.964759850e+01 4.078301575e+01 1.68 7.554306711e+01 3.260271095e+01 6.256765622e+01 7.554728455e+01 7.555097398e+01 1.667936736e+01 3.646576864e+01 6.635116001e+01 1.744237311e+01 3.713109606e+01 1.70 6.987696980e+01 2.936235284e+01 5.761865690e+01 6.988332922e+01 6.989105092e+01 1.490893421e+01 3.305342580e+01 6.118405019e+01 1.543029401e+01 3.372917357e+01 1.72 6.457817339e+01 2.634816551e+01 5.299604084e+01 6.458663342e+01 6.459780578e+01 1.328784224e+01 2.987545533e+01 5.635544985e+01 1.359532435e+01 3.055934038e+01 1.74 5.962130995e+01 2.354383847e+01 4.867678061e+01 5.963178017e+01 5.964561159e+01 1.180334677e+01 2.691523823e+01 5.184214806e+01 1.192286311e+01 2.760493368e+01 1.76 5.498287124e+01 2.094234323e+01 4.463930683e+01 5.499517758e+01 5.501077723e+01 1.044379728e+01 2.415726362e+01 4.762281502e+01 1.039954977e+01 2.485111522e+01 1.78 5.064135494e+01 1.855926011e+01 4.086366206e+01 5.065519340e+01 5.067165106e+01 9.198726321e+00 2.160723011e+01 4.367788483e+01 9.013082693e+00 2.230873825e+01 1.80 4.657701254e+01 1.637990443e+01 3.733134285e+01 4.659187530e+01 4.660830038e+01 8.058754467e+00 1.926812148e+01 3.998918577e+01 7.752030871e+00 1.997291804e+01 1.82 4.277181055e+01 1.438738782e+01 3.402548172e+01 4.278694731e+01 4.280249477e+01 7.015494692e+00 1.712331403e+01 3.653974089e+01 6.605759379e+00 1.782714640e+01 1.84 3.920907697e+01 1.256607193e+01 3.093083649e+01 3.922353855e+01 3.923744377e+01 6.061367739e+00 1.515755703e+01 3.331355616e+01 5.564446421e+00 1.585645057e+01 1.86 3.587310915e+01 1.090167361e+01 2.803363900e+01 3.588588121e+01 3.589750070e+01 5.189426576e+00 1.335679477e+01 3.029553291e+01 4.619100883e+00 1.404726568e+01 1.88 3.274911559e+01 9.381262889e+00 2.532148332e+01 3.275929401e+01 3.276814111e+01 4.393262920e+00 1.170806444e+01 2.747148223e+01 3.761599349e+00 1.238736867e+01 1.90 2.982293841e+01 7.993185701e+00 2.278295158e+01 2.982987496e+01 2.983563332e+01 3.666852927e+00 1.019933366e+01 2.482807817e+01 2.984612254e+00 1.086556421e+01 1.92 2.708126979e+01 6.726951703e+00 2.041747908e+01 2.708463210e+01 2.708715037e+01 3.004583147e+00 8.819472276e+00 2.235293570e+01 2.281533727e+00 9.471579402e+00 1.94 2.451165722e+01 5.573068649e+00 1.823787088e+01 2.451142501e+01 2.451071273e+01 2.401289429e+00 7.558229134e+00 2.004721603e+01 1.646356760e+00 8.195855718e+00 1.96 2.210246752e+01 4.522939967e+00 1.623150828e+01 2.209888582e+01 2.209512071e+01 1.852276141e+00 6.406211579e+00 1.791936500e+01 1.073533448e+00 7.029384584e+00 1.98 1.985776081e+01 3.568732203e+00 1.438540801e+01 1.985184056e+01 1.984593063e+01 1.353339138e+00 5.354859506e+00 1.595651287e+01 5.578930898e-01 5.963683784e+00 2.00 1.778319377e+01 2.703261919e+00 1.268748419e+01 1.777584597e+01 1.776858278e+01 9.006703539e-01 4.396379751e+00 1.414650798e+01 9.457993396e-02 4.990776632e+00 2.02 1.586638697e+01 1.919888270e+00 1.112655139e+01 1.585849468e+01 1.585069417e+01 4.907652110e-01 3.523654420e+00 1.247823760e+01 -3.209372762e-01 4.103294286e+00 2.04 1.409594335e+01 1.212425659e+00 9.692277813e+00 1.408830535e+01 1.408073903e+01 1.203137916e-01 2.730181844e+00 1.094150605e+01 -6.928509128e-01 3.294516848e+00 2.06 1.246143071e+01 5.750054681e-01 8.375075769e+00 1.245467962e+01 1.244797453e+01 -2.138623120e-01 2.009953227e+00 9.526952618e+00 -1.025002236e+00 2.558353055e+00 2.08 1.095331912e+01 2.039225943e-03 7.166056442e+00 1.094787133e+01 1.094244889e+01 -5.148310989e-01 1.357403999e+00 8.225988829e+00 -1.320888515e+00 1.889248458e+00 2.10 9.562877219e+00 -5.118251987e-01 6.056951844e+00 9.558907265e+00 9.554948358e+00 -7.854953122e-01 7.673519661e-01 7.030652973e+00 -1.583682514e+00 1.282071161e+00 2.12 8.282053272e+00 -9.716654030e-01 5.040120519e+00 8.279519105e+00 8.276987272e+00 -1.028547576e+00 2.349631014e-01 5.933568602e+00 -1.816279373e+00 7.319822152e-01 2.14 7.103368141e+00 -1.382246665e+00 4.108514556e+00 7.102060615e+00 7.100750639e+00 -1.246423436e+00 -2.442785478e-01 4.927836956e+00 -2.021342018e+00 2.343625707e-01 2.16 6.019827932e+00 -1.747962905e+00 3.255675975e+00 6.019437482e+00 6.019042429e+00 -1.441317411e+00 -6.746042309e-01 4.006985849e+00 -2.201338653e+00 -2.151809482e-01 2.18 5.024826171e+00 -2.072807198e+00 2.475704815e+00 5.025006571e+00 5.025181786e+00 -1.616495607e+00 -1.060004235e+00 3.164917333e+00 -2.358559078e+00 -6.207739625e-01 2.20 4.112136966e+00 -2.360365832e+00 1.763209073e+00 4.112553662e+00 4.112965392e+00 -1.773579509e+00 -1.404258072e+00 2.395898884e+00 -2.495107540e+00 -9.862024034e-01 2.22 3.275940161e+00 -2.613823763e+00 1.113308318e+00 3.276302212e+00 3.276659896e+00 -1.913185726e+00 -1.710923510e+00 1.694567452e+00 -2.613566100e+00 -1.314834760e+00 2.24 2.510763474e+00 -2.836023327e+00 5.215381656e-01 2.510828364e+00 2.510889591e+00 -2.035980839e+00 -1.983360806e+00 1.055903148e+00 -2.716704055e+00 -1.609664274e+00 2.26 1.811504156e+00 -3.029508760e+00 -1.615681554e-02 1.811087443e+00 1.810667750e+00 -2.142638705e+00 -2.224696792e+00 4.752225434e-01 -2.805063254e+00 -1.873335245e+00 2.28 1.173406968e+00 -3.196585043e+00 -5.034762424e-01 1.172380176e+00 1.171350463e+00 -2.233832179e+00 -2.437826436e+00 -5.184129226e-02 -2.879157930e+00 -2.108222671e+00 2.30 5.920270144e-01 -3.339342873e+00 -9.438153881e-01 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