# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-3 # implementation = 2015--Borovikov-V--fictional-Cu-3--LAMMPS--ipr1 # composition = Cu # 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 1.161943067e+05 nan 0.78 nan nan nan nan nan nan nan nan 1.002743185e+05 nan 0.80 nan nan nan nan nan nan nan nan 8.591435488e+04 nan 0.82 nan nan nan nan nan 5.088075188e+04 nan nan 7.292864485e+04 nan 0.84 nan nan nan nan nan 4.066794512e+04 nan nan 6.115688036e+04 nan 0.86 nan nan nan nan nan 3.138937603e+04 nan nan 5.046074736e+04 nan 0.88 nan nan nan nan nan 2.333160396e+04 nan nan 4.072034758e+04 nan 0.90 nan nan nan nan nan 1.737642057e+04 nan nan 3.183156423e+04 nan 0.92 nan nan nan 1.299512739e+05 1.299521499e+05 1.301252923e+04 nan nan 2.398741019e+04 6.382036233e+04 0.94 nan 5.376968199e+04 nan 1.158127111e+05 1.158133871e+05 9.796952438e+03 5.592303859e+04 nan 1.807571395e+04 5.384485467e+04 0.96 nan 4.461313787e+04 nan 1.028331964e+05 1.028335212e+05 7.414830339e+03 4.663622004e+04 nan 1.368655534e+04 4.468813352e+04 0.98 nan 3.619292035e+04 nan 9.089671463e+04 9.089670701e+04 5.641011288e+03 3.809678418e+04 nan 1.041132732e+04 3.626789764e+04 1.00 nan 2.843673887e+04 nan 7.990102169e+04 7.990083766e+04 4.313557977e+03 3.023106294e+04 nan 7.955562654e+03 2.851168165e+04 1.02 nan 2.191632017e+04 nan 6.975521611e+04 6.975499694e+04 3.315241913e+03 2.334670656e+04 nan 6.105664689e+03 2.198204164e+04 1.04 nan 1.695807760e+04 4.765104885e+04 6.037844960e+04 6.037825025e+04 2.560890578e+03 1.807396637e+04 5.144172671e+04 4.705904969e+03 1.701583615e+04 1.06 5.169885529e+04 1.317156593e+04 3.968342338e+04 5.169929820e+04 5.169915817e+04 1.988448616e+03 1.404577178e+04 4.326213451e+04 3.642271379e+03 1.322270075e+04 1.08 4.365372050e+04 1.026799131e+04 3.229899179e+04 4.365431064e+04 4.365426458e+04 1.552264407e+03 1.095567147e+04 3.568071263e+04 2.830706935e+03 1.031363756e+04 1.10 3.618652353e+04 8.032837550e+03 2.555480384e+04 3.618689380e+04 3.618692089e+04 1.218381049e+03 8.575859221e+03 2.864396786e+04 2.208957859e+03 8.073763969e+03 1.12 2.924644176e+04 6.305678859e+03 2.015503592e+04 2.924642836e+04 2.924651137e+04 9.616337550e+02 6.736138147e+03 2.260192952e+04 1.730736255e+03 6.342595384e+03 1.14 2.318406820e+04 4.966203176e+03 1.594847679e+04 2.318384848e+04 2.318397868e+04 7.632976068e+02 5.308764837e+03 1.789223419e+04 1.361509585e+03 4.999695979e+03 1.16 1.842956037e+04 3.923679501e+03 1.265970247e+04 1.842940827e+04 1.842959744e+04 6.093675421e+02 4.197426075e+03 1.420878594e+04 1.075329381e+03 3.954274037e+03 1.18 1.469501096e+04 3.109514098e+03 1.007963028e+04 1.469501676e+04 1.469523374e+04 4.893286247e+02 3.329195508e+03 1.131820369e+04 8.526602244e+02 3.137732283e+03 1.20 1.175194458e+04 2.471570950e+03 8.048844550e+03 1.175209425e+04 1.175230167e+04 3.952602127e+02 2.648646492e+03 9.042281023e+03 6.787517701e+02 2.497860113e+03 1.22 9.425142153e+03 1.970094723e+03 6.445329351e+03 9.425366691e+03 9.425539003e+03 3.211727531e+02 2.113509554e+03 7.244568167e+03 5.424275381e+02 1.994792661e+03 1.24 7.579834185e+03 1.574672013e+03 5.175375932e+03 7.580057876e+03 7.580188116e+03 2.625870450e+02 1.691461662e+03 5.820178244e+03 4.352059641e+02 1.597998553e+03 1.26 6.111989509e+03 1.261944753e+03 4.166721143e+03 6.112173748e+03 6.112273101e+03 2.161122416e+02 1.357624971e+03 4.688207166e+03 3.506267218e+02 1.284012690e+03 1.28 4.941037626e+03 1.013889529e+03 3.363277413e+03 4.941161313e+03 4.941236403e+03 1.789965846e+02 1.092761791e+03 3.786036883e+03 2.836436322e+02 1.034763995e+03 1.30 4.004315509e+03 8.165592645e+02 2.721497719e+03 4.004384839e+03 4.004440989e+03 1.491475131e+02 8.819883627e+02 3.065020870e+03 2.303787213e+02 8.363050038e+02 1.32 3.252937306e+03 6.591414969e+02 2.207452650e+03 3.252974891e+03 3.253018216e+03 1.249724613e+02 7.137633452e+02 2.487234881e+03 1.878475041e+02 6.778307278e+02 1.34 2.648656205e+03 5.332296933e+02 1.794632396e+03 2.648683471e+03 2.648718157e+03 1.052580583e+02 5.791079799e+02 2.023022552e+03 1.537447084e+02 5.509289559e+02 1.36 2.161454526e+03 4.322580676e+02 1.462256530e+03 2.161478925e+03 2.161505407e+03 8.907237158e+01 4.710193092e+02 1.649137454e+03 1.263352656e+02 4.490265160e+02 1.38 1.767689862e+03 3.510780522e+02 1.193987741e+03 1.767707770e+03 1.767724603e+03 7.569481745e+01 3.840459671e+02 1.347260164e+03 1.042323181e+02 3.669671267e+02 1.40 1.448684585e+03 2.856421386e+02 9.769451782e+02 1.448689484e+03 1.448696413e+03 6.456732400e+01 3.139433005e+02 1.102928689e+03 8.631506926e+01 3.006954956e+02 1.42 1.189644636e+03 2.327645090e+02 8.009465021e+02 1.189635625e+03 1.189635482e+03 5.525656725e+01 2.572754589e+02 9.047030129e+02 7.171372990e+01 2.470261778e+02 1.44 9.788663967e+02 1.899352646e+02 6.579105582e+02 9.788511346e+02 9.788491092e+02 4.742215747e+01 2.113282634e+02 7.435448716e+02 5.975143284e+01 2.035427644e+02 1.46 8.069742603e+02 1.551703376e+02 5.413999119e+02 8.069620280e+02 8.069623998e+02 4.079104612e+01 1.739573634e+02 6.122293746e+02 4.989759383e+01 1.682178456e+02 1.48 6.664732323e+02 1.268904037e+02 4.462800605e+02 6.664689327e+02 6.664733154e+02 3.514595209e+01 1.434678583e+02 5.049856202e+02 4.173623981e+01 1.394135961e+02 1.50 5.513730323e+02 1.038331339e+02 3.684497479e+02 5.513781217e+02 5.513859312e+02 3.031546049e+01 1.185184772e+02 4.172050713e+02 3.494254312e+01 1.158366422e+02 1.52 4.568774423e+02 8.499081091e+01 3.046236027e+02 4.568911174e+02 4.569002584e+02 2.616079410e+01 9.804527769e+01 3.452001570e+02 2.926175453e+01 9.646386383e+01 1.54 3.791392558e+02 6.955891712e+01 2.521653843e+02 3.791577544e+02 3.791658661e+02 2.256888756e+01 8.120035495e+01 2.860132495e+02 2.449112808e+01 8.048565245e+01 1.56 3.150610970e+02 5.689365568e+01 2.089575983e+02 3.150796777e+02 3.150856663e+02 1.944835032e+01 6.730496781e+01 2.372639178e+02 2.046781201e+01 6.725705390e+01 1.58 2.621391714e+02 4.648049506e+01 1.732981195e+02 2.621550531e+02 2.621596119e+02 1.672610995e+01 5.581470865e+01 1.970310827e+02 1.706077021e+01 5.626146267e+01 1.60 2.183446570e+02 3.790580978e+01 1.438166185e+02 2.183569035e+02 2.183611139e+02 1.434445306e+01 4.628953014e+01 1.637612158e+02 1.416493967e+01 4.708643428e+01 1.62 1.820338316e+02 3.083441266e+01 1.194072866e+02 1.820412700e+02 1.820453369e+02 1.225820111e+01 3.839412816e+01 1.361982179e+02 1.169607953e+01 3.940439186e+01 1.64 1.518737219e+02 2.499802495e+01 9.917126269e+01 1.518744213e+02 1.518774100e+02 1.042998736e+01 3.184496024e+01 1.133232460e+02 9.594416978e+00 3.295260337e+01 1.66 1.267789621e+02 2.021397773e+01 8.237177958e+01 1.267714267e+02 1.267719269e+02 8.826315283e+00 2.638886743e+01 9.430555352e+01 7.818796486e+00 2.751693485e+01 1.68 1.058631860e+02 1.628566181e+01 6.840358184e+01 1.058474710e+02 1.058442399e+02 7.416896991e+00 2.182306747e+01 7.846660629e+01 6.310382714e+00 2.292263168e+01 1.70 8.840068722e+01 1.304262019e+01 5.677009163e+01 8.837878179e+01 8.837108649e+01 6.175412207e+00 1.798526328e+01 6.525135607e+01 5.020687394e+00 1.902744713e+01 1.72 7.379646452e+01 1.035086606e+01 4.706582827e+01 7.377115720e+01 7.375883215e+01 5.080748649e+00 1.474551699e+01 5.420570018e+01 3.910686552e+00 1.571616850e+01 1.74 6.156171202e+01 8.105102295e+00 3.896431852e+01 6.153602005e+01 6.151974846e+01 4.115495824e+00 1.199961878e+01 4.495798805e+01 2.949937112e+00 1.289451611e+01 1.76 5.129401432e+01 6.222936637e+00 3.222883559e+01 5.127121678e+01 5.125275969e+01 3.263845081e+00 9.664031962e+00 3.720444456e+01 2.115183079e+00 1.048453624e+01 1.78 4.266234199e+01 4.640964971e+00 2.662032957e+01 4.264587040e+01 4.262777166e+01 2.511299658e+00 7.671740977e+00 3.069670502e+01 1.388569439e+00 8.422040269e+00 1.80 3.539530786e+01 3.318762095e+00 2.193338596e+01 3.538810972e+01 3.537300705e+01 1.845001191e+00 5.968663675e+00 2.523049046e+01 7.564264879e-01 6.654441826e+00 1.82 2.927166509e+01 2.247773133e+00 1.800163209e+01 2.927470150e+01 2.926454057e+01 1.254032855e+00 4.510651089e+00 2.063704566e+01 2.078739427e-01 5.138629704e+00 1.84 2.411128669e+01 1.377008836e+00 1.469095786e+01 2.412242704e+01 2.411790069e+01 7.293812126e-01 3.261411020e+00 1.677512656e+01 -2.668574026e-01 3.838868736e+00 1.86 1.976293111e+01 6.609814670e-01 1.189394362e+01 1.977834504e+01 1.977925207e+01 2.636327343e-01 2.190895015e+00 1.352525334e+01 -6.771638195e-01 2.725239526e+00 1.88 1.609740108e+01 6.434557682e-02 9.525260097e+00 1.611364175e+01 1.611964184e+01 -1.493184896e-01 1.274077781e+00 1.078690032e+01 -1.031531607e+00 1.772444448e+00 1.90 1.300484932e+01 -4.398679944e-01 7.516024312e+00 1.301977206e+01 1.303058217e+01 -5.143789504e-01 4.942152407e-01 8.476224522e+00 -1.337439549e+00 9.587539997e-01 1.92 1.039227839e+01 -8.717904925e-01 5.809653545e+00 1.040528160e+01 1.042047444e+01 -8.352912318e-01 -1.584712118e-01 6.523637792e+00 -1.601629192e+00 2.650705708e-01 1.94 8.181377352e+00 -1.246093484e+00 4.359396697e+00 8.193284902e+00 8.212178177e+00 -1.115177913e+00 -7.046529710e-01 4.871728918e+00 -1.830114442e+00 -3.255362468e-01 1.96 6.306904238e+00 -1.573303751e+00 3.124987180e+00 6.319048040e+00 6.340609351e+00 -1.357677473e+00 -1.162176802e+00 3.502508397e+00 -2.027899253e+00 -8.275949547e-01 1.98 4.715276645e+00 -1.861037279e+00 2.071834536e+00 4.728596926e+00 4.751446975e+00 -1.566839334e+00 -1.546117576e+00 2.389392533e+00 -2.198748004e+00 -1.252715003e+00 2.00 3.362738006e+00 -2.114900485e+00 1.170736723e+00 3.377378854e+00 3.399953928e+00 -1.746773628e+00 -1.869023631e+00 1.477621803e+00 -2.345375870e+00 -1.610500427e+00 2.02 2.256159131e+00 -2.333755634e+00 4.259837065e-01 2.271645067e+00 2.292532615e+00 -1.887082481e+00 -2.126810545e+00 7.388966854e-01 -2.459175351e+00 -1.888564151e+00 2.04 1.382775262e+00 -2.518671475e+00 -1.708953539e-01 1.398501159e+00 1.416849132e+00 -1.985324636e+00 -2.321862522e+00 1.460213445e-01 -2.537766573e+00 -2.087126895e+00 2.06 6.865017325e-01 -2.675887092e+00 -6.566108643e-01 7.018834040e-01 7.173764719e-01 -2.054143521e+00 -2.470821264e+00 -3.365779349e-01 -2.590645886e+00 -2.229851991e+00 2.08 1.238814982e-01 -2.809915324e+00 -1.058657669e+00 1.383163251e-01 1.509262051e-01 -2.102140740e+00 -2.585915562e+00 -7.360179706e-01 -2.624878425e+00 -2.335043308e+00 2.10 -3.382996908e-01 -2.924062809e+00 -1.396935321e+00 -3.254407794e-01 -3.156194866e-01 -2.135248492e+00 -2.675772208e+00 -1.072913446e+00 -2.645843230e+00 -2.416225247e+00 2.12 -7.249668134e-01 -3.020558430e+00 -1.685620994e+00 -7.143492107e-01 -7.072141854e-01 -2.158042772e+00 -2.746365431e+00 -1.362557245e+00 -2.657431851e+00 -2.482709621e+00 2.14 -1.054311262e+00 -3.101301314e+00 -1.934861270e+00 -1.046622330e+00 -1.042168704e+00 -2.174290930e+00 -2.802196895e+00 -1.615809185e+00 -2.661985620e+00 -2.540157076e+00 2.16 -1.338967892e+00 -3.168089099e+00 -2.151921015e+00 -1.334945968e+00 -1.333401323e+00 -2.186985300e+00 -2.846713497e+00 -1.839887805e+00 -2.660477377e+00 -2.591069566e+00 2.18 -1.587631563e+00 -3.222490970e+00 -2.341972155e+00 -1.588004386e+00 -1.589839557e+00 -2.197970430e+00 -2.882419388e+00 -2.039702025e+00 -2.653570001e+00 -2.635935206e+00 2.20 -1.807192044e+00 -3.266042787e+00 -2.508730771e+00 -1.812360096e+00 -1.817993979e+00 -2.208099539e+00 -2.910927846e+00 -2.219006997e+00 -2.642154072e+00 -2.675085897e+00 2.22 -2.003173717e+00 -3.300214180e+00 -2.654945574e+00 -2.013033438e+00 -2.022609926e+00 -2.217563374e+00 -2.933288068e+00 -2.380709009e+00 -2.627515719e+00 -2.708979574e+00 2.24 -2.179773202e+00 -3.326342198e+00 -2.782743999e+00 -2.193753061e+00 -2.207055096e+00 -2.226163824e+00 -2.950355502e+00 -2.526987193e+00 -2.611072096e+00 -2.738116920e+00 2.26 -2.339991061e+00 -3.345611825e+00 -2.893858114e+00 -2.357198975e+00 -2.373653582e+00 -2.233598735e+00 -2.962923945e+00 -2.659491911e+00 -2.593783883e+00 -2.762998627e+00 2.28 -2.485935592e+00 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