# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Ackland-G-J-Wooding-S-J-Bacon-D-J--Zr # implementation = 1995--Ackland-G-J--Zr--LAMMPS--ipr1 # composition = Zr # 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 2.894760999e+03 nan 0.74 nan nan nan nan nan nan nan nan 2.567697292e+03 nan 0.76 nan nan nan nan nan 2.026923124e+03 nan nan 2.282599932e+03 nan 0.78 nan nan nan nan nan 1.807041206e+03 nan nan 2.033143188e+03 nan 0.80 nan nan nan nan nan 1.614225111e+03 nan nan 1.814306867e+03 nan 0.82 nan nan nan nan nan 1.444554402e+03 nan nan 1.621929652e+03 nan 0.84 nan nan nan nan nan 1.294885727e+03 nan nan 1.452293190e+03 nan 0.86 nan nan nan nan nan 1.162707183e+03 nan nan 1.302297954e+03 nan 0.88 nan nan nan 2.841103079e+03 2.841587402e+03 1.045760882e+03 nan nan 1.169356614e+03 1.766496210e+03 0.90 nan 1.529881599e+03 nan 2.571032753e+03 2.571260968e+03 9.420579636e+02 1.597200270e+03 nan 1.051344625e+03 1.593821759e+03 0.92 nan 1.379945898e+03 nan 2.329878424e+03 2.329885603e+03 8.499662132e+02 1.442607536e+03 nan 9.464116812e+02 1.439858351e+03 0.94 nan 1.245788391e+03 nan 2.114190024e+03 2.114063029e+03 7.679940395e+02 1.304764824e+03 nan 8.528710007e+02 1.302247197e+03 0.96 nan 1.125690950e+03 nan 1.921029332e+03 1.920831828e+03 6.949620454e+02 1.181538030e+03 nan 7.693812114e+02 1.179143653e+03 0.98 nan 1.018129573e+03 nan 1.747818269e+03 1.747585471e+03 6.298645900e+02 1.070919385e+03 1.597198305e+03 6.948062936e+02 1.068967942e+03 1.00 1.592525000e+03 9.217670894e+02 1.394210166e+03 1.592321488e+03 1.592056960e+03 5.718019078e+02 9.714652879e+02 1.453773733e+03 6.281678279e+02 9.702645891e+02 1.02 1.452364341e+03 8.353062796e+02 1.269964464e+03 1.452123895e+03 1.451890181e+03 5.198297229e+02 8.819016613e+02 1.324266679e+03 5.684916759e+02 8.814140565e+02 1.04 1.325359051e+03 7.575774362e+02 1.157844388e+03 1.325191967e+03 1.325094204e+03 4.731698090e+02 8.010727702e+02 1.207075302e+03 5.149341517e+02 8.011405371e+02 1.06 1.210181934e+03 6.876987378e+02 1.056408297e+03 1.210174506e+03 1.210246269e+03 4.311582345e+02 7.280378734e+02 1.100989764e+03 4.668140496e+02 7.286244434e+02 1.08 1.105694996e+03 6.248325247e+02 9.642646175e+02 1.105827165e+03 1.106008167e+03 3.931199316e+02 6.619850819e+02 1.004941890e+03 4.235361225e+02 6.630360390e+02 1.10 1.010931283e+03 5.680430870e+02 8.805168304e+02 1.011174075e+03 1.011413293e+03 3.586552266e+02 6.022197230e+02 9.179991784e+02 3.845901186e+02 6.036940864e+02 1.12 9.249846090e+02 5.166799689e+02 8.043787637e+02 9.253042199e+02 9.255538405e+02 3.273978578e+02 5.480856520e+02 8.393026382e+02 3.495281115e+02 5.500450067e+02 1.14 8.470826536e+02 4.701352513e+02 7.351767658e+02 8.473759787e+02 8.475892940e+02 2.990460471e+02 4.990457784e+02 7.679495781e+02 3.179081806e+02 5.015637542e+02 1.16 7.764363313e+02 4.279480821e+02 6.722761123e+02 7.766214497e+02 7.767600372e+02 2.733532185e+02 4.546442363e+02 7.030775759e+02 2.893763403e+02 4.577565643e+02 1.18 7.120226955e+02 3.896773367e+02 6.151157983e+02 7.120912920e+02 7.121584797e+02 2.500764592e+02 4.144733596e+02 6.438685604e+02 2.636309260e+02 4.180313822e+02 1.20 6.531472225e+02 3.549068945e+02 5.632153788e+02 6.531265006e+02 6.531369541e+02 2.289953063e+02 3.781222988e+02 5.898259355e+02 2.403927422e+02 3.819428488e+02 1.22 5.993031854e+02 3.233135137e+02 5.160674352e+02 5.992358162e+02 5.992178978e+02 2.098946739e+02 3.452205829e+02 5.404814347e+02 2.194065050e+02 3.491494212e+02 1.24 5.500472651e+02 2.946058116e+02 4.731140883e+02 5.499754025e+02 5.499557891e+02 1.924935783e+02 3.153932220e+02 4.954135422e+02 2.004266403e+02 3.193628894e+02 1.26 5.049717221e+02 2.685185068e+02 4.337936391e+02 5.049241944e+02 5.049104911e+02 1.764639959e+02 2.883123250e+02 4.542415233e+02 1.831822853e+02 2.923080452e+02 1.28 4.637108867e+02 2.448320230e+02 3.978083421e+02 4.637053791e+02 4.636998280e+02 1.616876593e+02 2.637338838e+02 4.166279131e+02 1.675193455e+02 2.677254103e+02 1.30 4.259679899e+02 2.233307847e+02 3.648718160e+02 4.259901196e+02 4.259918053e+02 1.480722804e+02 2.414314949e+02 3.822768308e+02 1.533035482e+02 2.453741711e+02 1.32 3.914399533e+02 2.037937576e+02 3.347235719e+02 3.914766632e+02 3.914885950e+02 1.355417803e+02 2.211855927e+02 3.508994569e+02 1.403990453e+02 2.250359734e+02 1.34 3.598495342e+02 1.860277869e+02 3.071080368e+02 3.598996439e+02 3.599251200e+02 1.240023600e+02 2.028016190e+02 3.222381558e+02 1.286751994e+02 2.065320210e+02 1.36 3.309531220e+02 1.698817924e+02 2.818371648e+02 3.310118538e+02 3.310479959e+02 1.133804985e+02 1.861011540e+02 2.960385281e+02 1.179665463e+02 1.897123913e+02 1.38 3.045287182e+02 1.552022143e+02 2.587384571e+02 3.045823968e+02 3.046206564e+02 1.036149889e+02 1.709047737e+02 2.720842674e+02 1.081314800e+02 1.744520078e+02 1.40 2.803483533e+02 1.418427333e+02 2.376217028e+02 2.803903532e+02 2.804207972e+02 9.464002296e+01 1.570043559e+02 2.501806961e+02 9.909337210e+01 1.606144288e+02 1.42 2.582074172e+02 1.296852956e+02 2.183068138e+02 2.582360859e+02 2.582551016e+02 8.639540611e+01 1.442929452e+02 2.301408706e+02 9.079466624e+01 1.480613280e+02 1.44 2.378725543e+02 1.186447709e+02 2.006237543e+02 2.378885977e+02 2.378963560e+02 7.882094637e+01 1.326699704e+02 2.117671620e+02 8.317262854e+01 1.365419038e+02 1.46 2.192022268e+02 1.086246452e+02 1.844264346e+02 2.191894387e+02 2.191842099e+02 7.185665551e+01 1.220352446e+02 1.949123645e+02 7.616752366e+01 1.259108109e+02 1.48 2.020591926e+02 9.952444651e+01 1.696031176e+02 2.020122896e+02 2.019954817e+02 6.545173252e+01 1.122947271e+02 1.794424135e+02 6.972624131e+01 1.160788641e+02 1.50 1.863031213e+02 9.125013392e+01 1.560472281e+02 1.862293121e+02 1.862037847e+02 5.956237375e+01 1.033691678e+02 1.652364406e+02 6.380407807e+01 1.069904585e+02 1.52 1.718025028e+02 8.372442245e+01 1.436507456e+02 1.717236568e+02 1.716933907e+02 5.414531300e+01 9.519244879e+01 1.521873883e+02 5.836070804e+01 9.859663071e+01 1.54 1.584412254e+02 7.689556346e+01 1.323230293e+02 1.583868763e+02 1.583569053e+02 4.917447734e+01 8.769540345e+01 1.401990957e+02 5.335294912e+01 9.083922923e+01 1.56 1.461533841e+02 7.071002823e+01 1.219679296e+02 1.461296151e+02 1.461023235e+02 4.462398326e+01 8.081663015e+01 1.291972321e+02 4.874357667e+01 8.367735911e+01 1.58 1.348640459e+02 6.510588304e+01 1.124853393e+02 1.348627582e+02 1.348396244e+02 4.046015989e+01 7.450258043e+01 1.191010416e+02 4.450322462e+01 7.706811844e+01 1.60 1.244853268e+02 6.002207525e+01 1.037834137e+02 1.245015527e+02 1.244845910e+02 3.664633771e+01 6.870156074e+01 1.098354025e+02 4.060273023e+01 7.096391420e+01 1.62 1.149458559e+02 5.540606246e+01 9.579488851e+01 1.149709469e+02 1.149599050e+02 3.314907720e+01 6.335387458e+01 1.013313921e+02 3.701451477e+01 6.532209663e+01 1.64 1.061794990e+02 5.120893659e+01 8.847905908e+01 1.062067691e+02 1.062020165e+02 2.994749173e+01 5.841347379e+01 9.352467235e+01 3.371533273e+01 6.010289430e+01 1.66 9.811936242e+01 4.735132781e+01 8.179309310e+01 9.814897613e+01 9.815308695e+01 2.702323091e+01 5.384913586e+01 8.636313207e+01 3.066651623e+01 5.526801629e+01 1.68 9.070937841e+01 4.380185453e+01 7.568188797e+01 9.074138656e+01 9.075575304e+01 2.435142115e+01 4.962818597e+01 7.979771434e+01 2.784657045e+01 5.078828952e+01 1.70 8.390490970e+01 4.053997087e+01 7.009702747e+01 8.393443567e+01 8.395804247e+01 2.191084616e+01 4.572112924e+01 7.378073920e+01 2.523578866e+01 4.664411269e+01 1.72 7.765694180e+01 3.754104248e+01 6.500191142e+01 7.767773479e+01 7.770766896e+01 1.968859580e+01 4.210000290e+01 6.826332939e+01 2.281933228e+01 4.280975567e+01 1.74 7.191702559e+01 3.478077911e+01 6.035621581e+01 7.192682296e+01 7.195848336e+01 1.767073138e+01 3.874135070e+01 6.320036173e+01 2.058723747e+01 3.925845370e+01 1.76 6.664364128e+01 3.223667968e+01 5.608152491e+01 6.664275073e+01 6.667006552e+01 1.584118538e+01 3.562608043e+01 5.855433967e+01 1.852965779e+01 3.596912536e+01 1.78 6.180313243e+01 2.988702177e+01 5.213539719e+01 6.178881328e+01 6.180542209e+01 1.418328376e+01 3.273418833e+01 5.429182519e+01 1.663649383e+01 3.292791259e+01 1.80 5.735735981e+01 2.770988429e+01 4.848770997e+01 5.733161890e+01 5.733569555e+01 1.268098409e+01 3.005160709e+01 5.037909478e+01 1.489692945e+01 3.012018489e+01 1.82 5.326735681e+01 2.565851504e+01 4.510983213e+01 5.323854362e+01 5.323297011e+01 1.131903640e+01 2.757255802e+01 4.678668677e+01 1.329960939e+01 2.752633739e+01 1.84 4.949693131e+01 2.372366452e+01 4.197513933e+01 4.947528388e+01 4.946434968e+01 1.008322550e+01 2.528232095e+01 4.348649864e+01 1.183324225e+01 2.512579777e+01 1.86 4.602355751e+01 2.190084548e+01 3.906811988e+01 4.601480703e+01 4.600190905e+01 8.964496671e+00 2.316520641e+01 4.046081258e+01 1.048792323e+01 2.290833098e+01 1.88 4.283479718e+01 2.018499310e+01 3.637806953e+01 4.283705456e+01 4.282349600e+01 7.955072363e+00 2.120917141e+01 3.769494785e+01 9.256172208e+00 2.086958673e+01 1.90 3.991176024e+01 1.856895367e+01 3.388617393e+01 3.992017049e+01 3.990662216e+01 7.042767848e+00 1.939825876e+01 3.517034751e+01 8.129775592e+00 1.899827881e+01 1.92 3.723498935e+01 1.704520754e+01 3.157281351e+01 3.724377295e+01 3.723062551e+01 6.215009126e+00 1.771238144e+01 3.286861283e+01 7.101370369e+00 1.728216808e+01 1.94 3.478634633e+01 1.560555850e+01 2.942071859e+01 3.479308545e+01 3.478079166e+01 5.460379093e+00 1.614439430e+01 3.077149105e+01 6.165623192e+00 1.570969683e+01 1.96 3.254942800e+01 1.424218372e+01 2.742092390e+01 3.255387757e+01 3.254301190e+01 4.770692569e+00 1.469026115e+01 2.883184529e+01 5.315907858e+00 1.427099544e+01 1.98 3.051064374e+01 1.295045942e+01 2.557075549e+01 3.051138171e+01 3.050177366e+01 4.146028661e+00 1.334591216e+01 2.700969647e+01 4.544744183e+00 1.296046339e+01 2.00 2.865508068e+01 1.172561911e+01 2.386529921e+01 2.865058711e+01 2.864197292e+01 3.586115490e+00 1.210518921e+01 2.529438362e+01 3.844846988e+00 1.177206770e+01 2.02 2.692581146e+01 1.055603193e+01 2.226709923e+01 2.691584120e+01 2.690869183e+01 3.072296734e+00 1.094724085e+01 2.366083060e+01 3.198445748e+00 1.067623468e+01 2.04 2.526815166e+01 9.434106199e+00 2.074203195e+01 2.525380929e+01 2.524920643e+01 2.587680647e+00 9.853961054e+00 2.209002761e+01 2.589316142e+00 9.646308729e+00 2.06 2.367274577e+01 8.360469965e+00 1.928556093e+01 2.365765746e+01 2.365696520e+01 2.130881589e+00 8.823315553e+00 2.057822592e+01 2.014237969e+00 8.678894551e+00 2.08 2.213040647e+01 7.338320352e+00 1.789287535e+01 2.212107818e+01 2.212586048e+01 1.700507424e+00 7.852317876e+00 1.912469900e+01 1.471971547e+00 7.770615209e+00 2.10 2.063906315e+01 6.368885898e+00 1.655826078e+01 2.064078835e+01 2.065192491e+01 1.294711409e+00 6.937147039e+00 1.773122433e+01 9.630048689e-01 6.918112784e+00 2.12 1.920680312e+01 5.450653135e+00 1.527503793e+01 1.921935452e+01 1.923577666e+01 9.111621520e-01 6.073882529e+00 1.639824658e+01 4.862523275e-01 6.118059401e+00 2.14 1.783604953e+01 4.582045376e+00 1.403721395e+01 1.785620199e+01 1.787577870e+01 5.475178267e-01 5.258641521e+00 1.512352237e+01 3.936400009e-02 5.367372023e+00 2.16 1.652447462e+01 3.761584072e+00 1.284426658e+01 1.654937828e+01 1.657083199e+01 2.014511562e-01 4.488200723e+00 1.390434117e+01 -3.787164910e-01 4.662303227e+00 2.18 1.526945458e+01 2.987806356e+00 1.169713749e+01 1.529710003e+01 1.532037744e+01 -1.293497042e-01 3.760157923e+00 1.273814087e+01 -7.690148657e-01 3.998427085e+00 2.20 1.406835954e+01 2.259253843e+00 1.059402386e+01 1.409688708e+01 1.412210212e+01 -4.464553332e-01 3.073143049e+00 1.162239256e+01 -1.133678706e+00 3.371321653e+00 2.22 1.291855596e+01 1.574471920e+00 9.537473463e+00 1.294713056e+01 1.297409926e+01 -7.487443477e-01 2.426765152e+00 1.055548251e+01 -1.475070949e+00 2.776582328e+00 2.24 1.181742263e+01 9.319670995e-01 8.529589110e+00 1.184593291e+01 1.187398516e+01 -1.035330110e+00 1.819706204e+00 9.537050857e+00 -1.795549540e+00 2.209830560e+00 2.26 1.076281607e+01 3.299906367e-01 7.568955866e+00 1.079084616e+01 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