# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCu3 # 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 1.753934575e+02 nan nan 0.92 1.660017064e+02 nan nan 0.94 1.570291503e+02 nan nan 0.96 1.484209311e+02 nan nan 0.98 1.401489512e+02 1.774164888e+02 nan 1.00 1.321798887e+02 1.688796011e+02 1.803396935e+02 1.02 1.245046286e+02 1.606625671e+02 1.720158491e+02 1.04 1.171087991e+02 1.527305571e+02 1.640168293e+02 1.06 1.100007747e+02 1.450436716e+02 1.562910654e+02 1.08 1.031716524e+02 1.375979789e+02 1.488092942e+02 1.10 9.662038107e+01 1.303849791e+02 1.415433528e+02 1.12 9.035155026e+01 1.233961150e+02 1.344883690e+02 1.14 8.436124590e+01 1.166206681e+02 1.276356121e+02 1.16 7.865476879e+01 1.100669794e+02 1.209762411e+02 1.18 7.323107061e+01 1.037427483e+02 1.145195208e+02 1.20 6.808182558e+01 9.765017802e+01 1.082698784e+02 1.22 6.320154589e+01 9.178262421e+01 1.022218252e+02 1.24 5.859103426e+01 8.615502326e+01 9.638875479e+01 1.26 5.424154191e+01 8.076638482e+01 9.077113541e+01 1.28 5.014040920e+01 7.561781600e+01 8.537222491e+01 1.30 4.628721918e+01 7.070591312e+01 8.018497999e+01 1.32 4.267411259e+01 6.602474650e+01 7.522018544e+01 1.34 3.929155795e+01 6.157620767e+01 7.047678503e+01 1.36 3.612557598e+01 5.735651189e+01 6.595280462e+01 1.38 3.316649699e+01 5.335856069e+01 6.164068953e+01 1.40 3.040889066e+01 4.958064355e+01 5.753453242e+01 1.42 2.784372512e+01 4.601626804e+01 5.363989810e+01 1.44 2.545986129e+01 4.265537224e+01 4.994910831e+01 1.46 2.324790753e+01 3.948701439e+01 4.645752687e+01 1.48 2.119576870e+01 3.650791439e+01 4.316141392e+01 1.50 1.929592976e+01 3.371462154e+01 4.005259447e+01 1.52 1.754110459e+01 3.109853224e+01 3.712363948e+01 1.54 1.592216316e+01 2.865023939e+01 3.437040746e+01 1.56 1.441421909e+01 2.636362442e+01 3.178529358e+01 1.58 1.304086683e+01 2.423058253e+01 2.935855852e+01 1.60 1.177779741e+01 2.224316196e+01 2.708532108e+01 1.62 1.061476528e+01 2.039341981e+01 2.495927251e+01 1.64 9.494416972e+00 1.867375178e+01 2.297332936e+01 1.66 8.483949338e+00 1.707438979e+01 2.111742389e+01 1.68 7.534228587e+00 1.558884179e+01 1.938515522e+01 1.70 6.643267917e+00 1.419657650e+01 1.777279935e+01 1.72 5.808391771e+00 1.292277426e+01 1.627379218e+01 1.74 5.026983906e+00 1.174469972e+01 1.488169151e+01 1.76 4.295771275e+00 1.063770304e+01 1.357311651e+01 1.78 3.612575148e+00 9.621591392e+00 1.237421254e+01 1.80 2.975954969e+00 8.642198172e+00 1.126357422e+01 1.82 2.382478296e+00 7.747556680e+00 1.019057974e+01 1.84 1.830532560e+00 6.904841521e+00 9.229488818e+00 1.86 1.317439805e+00 6.111540469e+00 8.321771345e+00 1.88 8.428311251e-01 5.365408961e+00 7.461912451e+00 1.90 4.046619091e-01 4.664392779e+00 6.647826914e+00 1.92 9.673318289e-04 4.006055030e+00 5.881141812e+00 1.94 -3.701481121e-01 3.386336597e+00 5.159704819e+00 1.96 -7.105099455e-01 2.806357836e+00 4.481471578e+00 1.98 -1.021931019e+00 2.262277676e+00 3.844467711e+00 2.00 -1.306041526e+00 1.753612985e+00 3.246864473e+00 2.02 -1.564456157e+00 1.279662007e+00 2.686873004e+00 2.04 -1.798509788e+00 8.387202275e-01 2.161982386e+00 2.06 -2.007716599e+00 4.291453271e-01 1.671411299e+00 2.08 -2.196064946e+00 4.935401253e-02 1.213586188e+00 2.10 -2.364706039e+00 -3.021798243e-01 7.869226292e-01 2.12 -2.515291977e+00 -6.269266389e-01 3.897875474e-01 2.14 -2.649009094e+00 -9.262921432e-01 2.089630419e-02 2.16 -2.766609503e+00 -1.202161646e+00 -3.211655457e-01 2.18 -2.870008081e+00 -1.455384598e+00 -6.377622498e-01 2.20 -2.959341718e+00 -1.687037778e+00 -9.302083167e-01 2.22 -3.035789651e+00 -1.897776840e+00 -1.200496982e+00 2.24 -3.100533312e+00 -2.088900118e+00 -1.450598701e+00 2.26 -3.153880777e+00 -2.261228583e+00 -1.679955703e+00 2.28 -3.195604783e+00 -2.416736480e+00 -1.889764767e+00 2.30 -3.227722995e+00 -2.556502230e+00 -2.079302929e+00 2.32 -3.250960051e+00 -2.681468143e+00 -2.251256334e+00 2.34 -3.266009283e+00 -2.792535547e+00 -2.406949441e+00 2.36 -3.273523313e+00 -2.890564754e+00 -2.547356343e+00 2.38 -3.274091796e+00 -2.976376008e+00 -2.673400912e+00 2.40 -3.268298619e+00 -3.050750250e+00 -2.785937656e+00 2.42 -3.256704493e+00 -3.114452463e+00 -2.885782512e+00 2.44 -3.239896375e+00 -3.168140555e+00 -2.973713836e+00 2.46 -3.218270796e+00 -3.212179646e+00 -3.050473284e+00 2.48 -3.192403980e+00 -3.247447402e+00 -3.116994293e+00 2.50 -3.163022288e+00 -3.274803219e+00 -3.174517858e+00 2.52 -3.130024969e+00 -3.294665649e+00 -3.222796742e+00 2.54 -3.093790434e+00 -3.307587269e+00 -3.261995887e+00 2.56 -3.054661238e+00 -3.314077776e+00 -3.292626638e+00 2.58 -3.012949782e+00 -3.314569514e+00 -3.315851638e+00 2.60 -2.967041907e+00 -3.311257926e+00 -3.332186961e+00 2.62 -2.918525864e+00 -3.303269982e+00 -3.342121394e+00 2.64 -2.868371648e+00 -3.290498013e+00 -3.346117645e+00 2.66 -2.818157606e+00 -3.273335475e+00 -3.344603260e+00 2.68 -2.767190806e+00 -3.252152573e+00 -3.337973709e+00 2.70 -2.715173612e+00 -3.227297486e+00 -3.326652504e+00 2.72 -2.662290986e+00 -3.199097449e+00 -3.311008295e+00 2.74 -2.608705178e+00 -3.167859798e+00 -3.291389163e+00 2.76 -2.554947015e+00 -3.133872968e+00 -3.268123350e+00 2.78 -2.500916111e+00 -3.097417055e+00 -3.241532262e+00 2.80 -2.446626064e+00 -3.058538912e+00 -3.211928357e+00 2.82 -2.392127394e+00 -3.017056986e+00 -3.179548182e+00 2.84 -2.337551611e+00 -2.972727319e+00 -3.144649603e+00 2.86 -2.283055307e+00 -2.926456758e+00 -3.107711290e+00 2.88 -2.228728202e+00 -2.878937856e+00 -3.070730617e+00 2.90 -2.174658171e+00 -2.830355984e+00 -3.031384288e+00 2.92 -2.120924530e+00 -2.780944651e+00 -2.988307877e+00 2.94 -2.067599179e+00 -2.730764073e+00 -2.943869894e+00 2.96 -2.014747089e+00 -2.679953558e+00 -2.898188726e+00 2.98 -1.962426794e+00 -2.628642499e+00 -2.851426923e+00 3.00 -1.910690813e+00 -2.576950985e+00 -2.803736439e+00 3.02 -1.859586077e+00 -2.524993526e+00 -2.755259156e+00 3.04 -1.809154230e+00 -2.473436142e+00 -2.706127410e+00 3.06 -1.759430942e+00 -2.422512476e+00 -2.656464533e+00 3.08 -1.710452016e+00 -2.371479217e+00 -2.606385315e+00 3.10 -1.662334088e+00 -2.320488916e+00 -2.555996242e+00 3.12 -1.614940362e+00 -2.269628407e+00 -2.505398783e+00 3.14 -1.568198249e+00 -2.218967112e+00 -2.454668696e+00 3.16 -1.521912863e+00 -2.168570074e+00 -2.403851736e+00 3.18 -1.476114417e+00 -2.118496678e+00 -2.353054969e+00 3.20 -1.431175083e+00 -2.068801096e+00 -2.302384132e+00 3.22 -1.387240679e+00 -2.019532626e+00 -2.251983555e+00 3.24 -1.344218257e+00 -1.970736066e+00 -2.201846381e+00 3.26 -1.302089356e+00 -1.922451859e+00 -2.152008697e+00 3.28 -1.260862807e+00 -1.874716312e+00 -2.102522498e+00 3.30 -1.220538443e+00 -1.827562127e+00 -2.053435258e+00 3.32 -1.181109268e+00 -1.781017171e+00 -2.004790221e+00 3.34 -1.142576951e+00 -1.735108616e+00 -1.956626602e+00 3.36 -1.104930732e+00 -1.689872555e+00 -1.908979922e+00 3.38 -1.068162174e+00 -1.645305532e+00 -1.861882133e+00 3.40 -1.032273596e+00 -1.601341731e+00 -1.815362063e+00 3.42 -9.972523839e-01 -1.557945737e+00 -1.769443720e+00 3.44 -9.630745710e-01 -1.514928246e+00 -1.724149486e+00 3.46 -9.297364982e-01 -1.472414689e+00 -1.679531311e+00 3.48 -8.972388956e-01 -1.430670593e+00 -1.635532970e+00 3.50 -8.655459849e-01 -1.389748997e+00 -1.592130412e+00 3.52 -8.346328879e-01 -1.349606988e+00 -1.549900717e+00 3.54 -8.045082254e-01 -1.310237104e+00 -1.508030214e+00 3.56 -7.751813145e-01 -1.271646143e+00 -1.466715546e+00 3.58 -7.466503893e-01 -1.233835653e+00 -1.426179326e+00 3.60 -7.186772900e-01 -1.196798790e+00 -1.386403827e+00 3.62 -6.912902084e-01 -1.160535207e+00 -1.347354464e+00 3.64 -6.646463470e-01 -1.125042990e+00 -1.309034882e+00 3.66 -6.388619334e-01 -1.090309079e+00 -1.271450596e+00 3.68 -6.140195457e-01 -1.056332315e+00 -1.234603962e+00 3.70 -5.901742789e-01 -1.023114911e+00 -1.198488644e+00 3.72 -5.674404283e-01 -9.906378295e-01 -1.163105630e+00 3.74 -5.459426197e-01 -9.588874015e-01 -1.128454524e+00 3.76 -5.252589576e-01 -9.278616393e-01 -1.094522951e+00 3.78 -5.050288892e-01 -8.975616284e-01 -1.061310406e+00 3.80 -4.849963414e-01 -8.679557781e-01 -1.028820090e+00 3.82 -4.649879112e-01 -8.390217512e-01 -9.970374345e-01 3.84 -4.448949100e-01 -8.107666330e-01 -9.659477494e-01 3.86 -4.246586416e-01 -7.831981835e-01 -9.355490949e-01 3.88 -4.042583977e-01 -7.563241034e-01 -9.058427434e-01 3.90 -3.837017181e-01 -7.300349638e-01 -8.768106273e-01 3.92 -3.630045214e-01 -7.041869716e-01 -8.484191990e-01 3.94 -3.421159549e-01 -6.789115872e-01 -8.207137261e-01 3.96 -3.211913197e-01 -6.543213593e-01 -7.936703215e-01 3.98 -3.004704395e-01 -6.305004631e-01 -7.672871361e-01 4.00 -2.801382776e-01 -6.075094556e-01 -7.415378990e-01 4.02 -2.603364364e-01 -5.853897746e-01 -7.162220566e-01 4.04 -2.412087440e-01 -5.642717406e-01 -6.913978720e-01 4.06 -2.253608862e-01 -5.442018121e-01 -6.671816899e-01 4.08 -2.104089466e-01 -5.248374299e-01 -6.436623304e-01 4.10 -1.961190681e-01 -5.058819501e-01 -6.209055352e-01 4.12 -1.824849734e-01 -4.871187546e-01 -5.989577784e-01 4.14 -1.695050077e-01 -4.683957287e-01 -5.778599373e-01 4.16 -1.571708873e-01 -4.496122916e-01 -5.577889943e-01 4.18 -1.454692303e-01 -4.307085908e-01 -5.386227982e-01 4.20 -1.343828113e-01 -4.116565495e-01 -5.200385674e-01 4.22 -1.238915888e-01 -3.924524600e-01 -5.017912542e-01 4.24 -1.139735410e-01 -3.731088774e-01 -4.837022832e-01 4.26 -1.046053464e-01 -3.535888787e-01 -4.656468108e-01 4.28 -9.576292526e-02 -3.338571664e-01 -4.475430344e-01 4.30 -8.742187596e-02 -3.158162797e-01 -4.293432600e-01 4.32 -7.955781479e-02 -2.987423521e-01 -4.110264529e-01 4.34 -7.214664661e-02 -2.819929695e-01 -3.925920703e-01 4.36 -6.516476665e-02 -2.656646620e-01 -3.740549730e-01 4.38 -5.858921642e-02 -2.498176996e-01 -3.554001489e-01 4.40 -5.239708552e-02 -2.344960129e-01 -3.365979505e-01 4.42 -4.648533895e-02 -2.197300510e-01 -3.178300885e-01 4.44 -4.244763864e-02 -2.055391723e-01 -2.992639156e-01 4.46 -3.941535557e-02 -1.919336651e-01 -2.810311831e-01 4.48 -3.652168170e-02 -1.789164654e-01 -2.632339015e-01 4.50 -3.378746567e-02 -1.664845871e-01 -2.459493067e-01 4.52 -3.120433970e-02 -1.546303353e-01 -2.292340928e-01 4.54 -2.876410021e-02 -1.433423196e-01 -2.131279983e-01 4.56 -2.645895188e-02 -1.326063031e-01 -1.976568461e-01 4.58 -2.428149545e-02 -1.224059095e-01 -1.828351111e-01 4.60 -2.222471311e-02 -1.127232027e-01 -1.686680762e-01 4.62 -2.028195426e-02 -1.035391709e-01 -1.551536521e-01 4.64 -1.844692021e-02 -9.483412063e-02 -1.422838996e-01 4.66 -1.671364973e-02 -8.658800334e-02 -1.300463095e-01 4.68 -1.507650313e-02 -7.878067271e-02 -1.184248587e-01 4.70 -1.353014704e-02 -7.139209303e-02 -1.074008901e-01 4.72 -1.206953952e-02 -6.440250494e-02 -9.695383961e-02 4.74 -1.068991549e-02 -5.779255419e-02 -8.706183381e-02 4.76 -9.386773236e-03 -5.154339401e-02 -7.770218330e-02 4.78 -8.155859962e-03 -4.563675452e-02 -6.885177235e-02 4.80 -6.993158868e-03 -4.005329408e-02 -6.048737955e-02 4.82 -5.894876436e-03 -3.482804060e-02 -5.258593092e-02 4.84 -4.857430686e-03 -2.991032987e-02 -4.512470233e-02 4.86 -3.877439622e-03 -2.526348587e-02 -3.808147385e-02 4.88 -2.951709955e-03 -2.087302086e-02 -3.143464455e-02 4.90 -2.077226796e-03 -1.672511871e-02 -2.516331990e-02 4.92 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