# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cl3Id # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 1.056469160e+03 nan nan 1.14 9.920081937e+02 nan nan 1.16 9.321254408e+02 nan nan 1.18 8.764410973e+02 nan nan 1.20 8.246053464e+02 nan nan 1.22 7.762954457e+02 nan nan 1.24 7.312184895e+02 nan nan 1.26 6.891142254e+02 nan nan 1.28 6.497597193e+02 8.943202491e+02 nan 1.30 6.129480778e+02 8.454811364e+02 nan 1.32 5.784923666e+02 7.997252114e+02 8.870652645e+02 1.34 5.462249397e+02 7.568133782e+02 8.400186507e+02 1.36 5.159856402e+02 7.165391363e+02 7.958438438e+02 1.38 4.876348583e+02 6.787104485e+02 7.543341506e+02 1.40 4.610352080e+02 6.431366217e+02 7.152928768e+02 1.42 4.360646934e+02 6.096694344e+02 6.785490927e+02 1.44 4.126010317e+02 5.781636790e+02 6.439505230e+02 1.46 3.905400440e+02 5.484878419e+02 6.113494901e+02 1.48 3.697819083e+02 5.205173668e+02 5.806186496e+02 1.50 3.502337367e+02 4.941405017e+02 5.516391161e+02 1.52 3.318131342e+02 4.692651197e+02 5.242928322e+02 1.54 3.144456803e+02 4.457886849e+02 4.984780813e+02 1.56 2.980613749e+02 4.236310471e+02 4.740977181e+02 1.58 2.825946581e+02 4.027027532e+02 4.510586479e+02 1.60 2.679841719e+02 3.829246255e+02 4.292708151e+02 1.62 2.541812005e+02 3.642260481e+02 4.086508511e+02 1.64 2.411377064e+02 3.465393521e+02 3.891293130e+02 1.66 2.288060306e+02 3.297964613e+02 3.706319864e+02 1.68 2.171411383e+02 3.139357920e+02 3.530958981e+02 1.70 2.061059058e+02 2.988983373e+02 3.364577424e+02 1.72 1.956684097e+02 2.846342619e+02 3.206643453e+02 1.74 1.857931434e+02 2.710956030e+02 3.056705653e+02 1.76 1.764471237e+02 2.582396162e+02 2.914303451e+02 1.78 1.675993012e+02 2.460280890e+02 2.779012394e+02 1.80 1.592160047e+02 2.344242387e+02 2.650427673e+02 1.82 1.512752310e+02 2.233919339e+02 2.528181154e+02 1.84 1.437510019e+02 2.129044354e+02 2.411897636e+02 1.86 1.366191864e+02 2.029342658e+02 2.301328155e+02 1.88 1.298561468e+02 1.934561945e+02 2.196165981e+02 1.90 1.234395500e+02 1.844443235e+02 2.096110625e+02 1.92 1.173471987e+02 1.758735420e+02 2.000875316e+02 1.94 1.115620574e+02 1.677202141e+02 1.910207104e+02 1.96 1.060663028e+02 1.599664102e+02 1.823893516e+02 1.98 1.008456258e+02 1.525911898e+02 1.741719578e+02 2.00 9.588452608e+01 1.455740985e+02 1.663449278e+02 2.02 9.116870494e+01 1.388936485e+02 1.588904753e+02 2.04 8.668488690e+01 1.325330524e+02 1.517892444e+02 2.06 8.242067299e+01 1.264765705e+02 1.450229071e+02 2.08 7.836346539e+01 1.207103465e+02 1.385736262e+02 2.10 7.450271348e+01 1.152190639e+02 1.324227722e+02 2.12 7.082928016e+01 1.099884565e+02 1.265572221e+02 2.14 6.733185780e+01 1.050051153e+02 1.209625601e+02 2.16 6.400176254e+01 1.002563175e+02 1.156243332e+02 2.18 6.083201427e+01 9.572989115e+01 1.105284582e+02 2.20 5.781356838e+01 9.141278563e+01 1.056601895e+02 2.22 5.493877990e+01 8.729453858e+01 1.010080753e+02 2.24 5.220124675e+01 8.336545777e+01 9.656192821e+01 2.26 4.959437870e+01 7.961461688e+01 9.231075198e+01 2.28 4.711185526e+01 7.603204210e+01 8.824445844e+01 2.30 4.474731815e+01 7.260810502e+01 8.435381991e+01 2.32 4.249586089e+01 6.933335898e+01 8.062986965e+01 2.34 4.035129293e+01 6.619654919e+01 7.706345085e+01 2.36 3.831007999e+01 6.319431995e+01 7.365039012e+01 2.38 3.636757789e+01 6.031956146e+01 7.038396032e+01 2.40 3.451904929e+01 5.756555788e+01 6.725787869e+01 2.42 3.275876468e+01 5.492632319e+01 6.426629825e+01 2.44 3.108448149e+01 5.239653331e+01 6.140371161e+01 2.46 2.949192031e+01 4.997145087e+01 5.866486917e+01 2.48 2.797697526e+01 4.764684718e+01 5.604471422e+01 2.50 2.653570435e+01 4.541892467e+01 5.353555352e+01 2.52 2.516432764e+01 4.328424294e+01 5.113595264e+01 2.54 2.385923140e+01 4.123965021e+01 4.884145190e+01 2.56 2.261697591e+01 3.928094771e+01 4.664720825e+01 2.58 2.143429725e+01 3.740681099e+01 4.454854832e+01 2.60 2.030643874e+01 3.561465461e+01 4.254091642e+01 2.62 1.923272583e+01 3.390112995e+01 4.062001472e+01 2.64 1.821044727e+01 3.226423626e+01 3.878015450e+01 2.66 1.723699570e+01 3.070229305e+01 3.701898362e+01 2.68 1.630998587e+01 2.921266413e+01 3.533330698e+01 2.70 1.542723461e+01 2.779221686e+01 3.371873088e+01 2.72 1.458673810e+01 2.643859592e+01 3.217264973e+01 2.74 1.378664738e+01 2.514985742e+01 3.069186433e+01 2.76 1.302524322e+01 2.392335261e+01 2.927334039e+01 2.78 1.230091164e+01 2.275544562e+01 2.791427290e+01 2.80 1.161212057e+01 2.164480797e+01 2.661206926e+01 2.82 1.095671678e+01 2.058875928e+01 2.536433203e+01 2.84 1.033413832e+01 1.958462393e+01 2.416884159e+01 2.86 9.742976719e+00 1.862933602e+01 2.302353912e+01 2.88 9.181811960e+00 1.772075475e+01 2.192650992e+01 2.90 8.649248587e+00 1.685644084e+01 2.087596726e+01 2.92 8.143911047e+00 1.603388414e+01 1.987023665e+01 2.94 7.664352946e+00 1.525065963e+01 1.890756161e+01 2.96 7.208755328e+00 1.450443874e+01 1.798548223e+01 2.98 6.776575206e+00 1.379300025e+01 1.710411006e+01 3.00 6.366481024e+00 1.311424021e+01 1.626191650e+01 3.02 5.977187710e+00 1.246618034e+01 1.545751525e+01 3.04 5.607043283e+00 1.184697430e+01 1.468960909e+01 3.06 5.254889580e+00 1.125491167e+01 1.395686151e+01 3.08 4.920261775e+00 1.068841928e+01 1.325795916e+01 3.10 4.602048458e+00 1.014605979e+01 1.259160200e+01 3.12 4.299218913e+00 9.626527797e+00 1.195585351e+01 3.14 4.010822226e+00 9.128643385e+00 1.134996716e+01 3.16 3.735985268e+00 8.651343655e+00 1.077296695e+01 3.18 3.473909624e+00 8.193637050e+00 1.022350124e+01 3.20 3.223867624e+00 7.754665058e+00 9.700230097e+00 3.22 2.985197619e+00 7.333704034e+00 9.201827423e+00 3.24 2.757298730e+00 6.930042088e+00 8.726984910e+00 3.26 2.539625250e+00 6.543026788e+00 8.274417368e+00 3.28 2.331680925e+00 6.172053365e+00 7.842869083e+00 3.30 2.132637866e+00 5.816220224e+00 7.430369897e+00 3.32 1.942464144e+00 5.475326600e+00 7.036508385e+00 3.34 1.760876065e+00 5.148937767e+00 6.660353417e+00 3.36 1.587497796e+00 4.836524642e+00 6.300788934e+00 3.38 1.421982724e+00 4.537570540e+00 5.956770276e+00 3.40 1.264009238e+00 4.251567393e+00 5.627327130e+00 3.42 1.113277085e+00 3.978013450e+00 5.311565305e+00 3.44 9.695043058e-01 3.715799703e+00 5.008667267e+00 3.46 8.324247111e-01 3.464611938e+00 4.717891433e+00 3.48 7.017858274e-01 3.224580048e+00 4.438570278e+00 3.50 5.773472634e-01 2.995114143e+00 4.170107333e+00 3.52 4.583235008e-01 2.775921314e+00 3.911973196e+00 3.54 3.445643898e-01 2.566494717e+00 3.663700716e+00 3.56 2.366151486e-01 2.366353358e+00 3.424879516e+00 3.58 1.342163577e-01 2.175042490e+00 3.195150031e+00 3.60 3.712659773e-02 1.992133843e+00 2.974197255e+00 3.62 -5.487929943e-02 1.817225612e+00 2.761744366e+00 3.64 -1.420118803e-01 1.649428868e+00 2.557546406e+00 3.66 -2.244685579e-01 1.488740517e+00 2.361384166e+00 3.68 -3.024970698e-01 1.335178704e+00 2.172934147e+00 3.70 -3.762020434e-01 1.188404278e+00 1.992152445e+00 3.72 -4.457424395e-01 1.048106649e+00 1.818877087e+00 3.74 -5.112780037e-01 9.140012497e-01 1.652932646e+00 3.76 -5.729598866e-01 7.858269273e-01 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