# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuNi3 # 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 2024-04-11 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 nan nan nan 1.14 1.174810653e+02 nan nan 1.16 1.066709980e+02 nan nan 1.18 9.681574886e+01 nan nan 1.20 8.783124177e+01 nan nan 1.22 7.964092044e+01 nan nan 1.24 7.217208122e+01 nan nan 1.26 6.535732783e+01 nan nan 1.28 5.913733250e+01 9.916740772e+01 1.162816232e+02 1.30 5.346002647e+01 9.068822631e+01 1.066514933e+02 1.32 4.827735362e+01 8.289705556e+01 9.778082286e+01 1.34 4.354353692e+01 7.572875640e+01 8.960975293e+01 1.36 3.921620566e+01 6.912800156e+01 8.208388210e+01 1.38 3.525846424e+01 6.304934458e+01 7.515251410e+01 1.40 3.163933735e+01 5.745427129e+01 6.876819811e+01 1.42 2.833214251e+01 5.230825873e+01 6.288672337e+01 1.44 2.531227491e+01 4.757890768e+01 5.746715696e+01 1.46 2.255584463e+01 4.323477790e+01 5.247186874e+01 1.48 2.003965643e+01 3.924480294e+01 4.786620026e+01 1.50 1.774226981e+01 3.557853411e+01 4.361794898e+01 1.52 1.564484436e+01 3.220720924e+01 3.969747811e+01 1.54 1.373118265e+01 2.910492092e+01 3.607846294e+01 1.56 1.198702148e+01 2.624892821e+01 3.273825485e+01 1.58 1.039910208e+01 2.361906216e+01 2.965729770e+01 1.60 8.954525198e+00 2.119709713e+01 2.681807080e+01 1.62 7.640541746e+00 1.896668932e+01 2.420417127e+01 1.64 6.444657597e+00 1.691363808e+01 2.179965167e+01 1.66 5.354947323e+00 1.502566155e+01 1.958849051e+01 1.68 4.360545780e+00 1.329177056e+01 1.755441766e+01 1.70 3.452145587e+00 1.170148308e+01 1.568114239e+01 1.72 2.622197015e+00 1.024421552e+01 1.395325285e+01 1.74 1.864686029e+00 8.909058029e+00 1.235730155e+01 1.76 1.174668968e+00 7.684996754e+00 1.088234785e+01 1.78 5.478312830e-01 6.561468424e+00 9.519664319e+00 1.80 -1.979335749e-02 5.528979742e+00 8.261950828e+00 1.82 -5.319570985e-01 4.579513661e+00 7.102600914e+00 1.84 -9.922590260e-01 3.706568960e+00 6.035318220e+00 1.86 -1.404198162e+00 2.904856136e+00 5.054063378e+00 1.88 -1.771247958e+00 2.169822283e+00 4.153146453e+00 1.90 -2.096942024e+00 1.497218180e+00 3.327283146e+00 1.92 -2.384928929e+00 8.828426614e-01 2.571534527e+00 1.94 -2.638948658e+00 3.224854257e-01 1.881156114e+00 1.96 -2.862715689e+00 -1.879885339e-01 1.251434466e+00 1.98 -3.059744774e+00 -6.525002646e-01 6.775932377e-01 2.00 -3.233186046e+00 -1.074644009e+00 1.548278949e-01 2.02 -3.385724226e+00 -1.457643264e+00 -3.215217750e-01 2.04 -3.519558674e+00 -1.804371976e+00 -7.557270478e-01 2.06 -3.636449343e+00 -2.117408442e+00 -1.151473753e+00 2.08 -3.737802400e+00 -2.399089937e+00 -1.511811115e+00 2.10 -3.824769745e+00 -2.651553079e+00 -1.839252436e+00 2.12 -3.898341206e+00 -2.876761414e+00 -2.135954456e+00 2.14 -3.959416435e+00 -3.076529582e+00 -2.403890747e+00 2.16 -4.008856278e+00 -3.252553102e+00 -2.644973950e+00 2.18 -4.047504095e+00 -3.406447143e+00 -2.861122662e+00 2.20 -4.076210211e+00 -3.539790271e+00 -3.054284786e+00 2.22 -4.095835652e+00 -3.654163581e+00 -3.226425540e+00 2.24 -4.107233708e+00 -3.751175696e+00 -3.379482471e+00 2.26 -4.111219663e+00 -3.832470421e+00 -3.515293897e+00 2.28 -4.108547140e+00 -3.899721766e+00 -3.635519742e+00 2.30 -4.099880120e+00 -3.954621975e+00 -3.741582220e+00 2.32 -4.084945439e+00 -3.998859272e+00 -3.834647169e+00 2.34 -4.063386024e+00 -4.034073851e+00 -3.915647647e+00 2.36 -4.035085736e+00 -4.061781309e+00 -3.985333962e+00 2.38 -4.000173734e+00 -4.083280256e+00 -4.044329310e+00 2.40 -3.959011386e+00 -4.099590192e+00 -4.093176729e+00 2.42 -3.912151177e+00 -4.111426247e+00 -4.132375701e+00 2.44 -3.860293479e+00 -4.119230018e+00 -4.162400663e+00 2.46 -3.804214564e+00 -4.123240117e+00 -4.183730706e+00 2.48 -3.744665588e+00 -4.123587002e+00 -4.196879406e+00 2.50 -3.682327181e+00 -4.120324995e+00 -4.202423277e+00 2.52 -3.617789195e+00 -4.112862568e+00 -4.201030636e+00 2.54 -3.551547101e+00 -4.100651927e+00 -4.193481660e+00 2.56 -3.484008646e+00 -4.083330245e+00 -4.180729329e+00 2.58 -3.415505665e+00 -4.060683363e+00 -4.163546004e+00 2.60 -3.346307384e+00 -4.032618019e+00 -4.142096932e+00 2.62 -3.276632884e+00 -3.999143882e+00 -4.116658853e+00 2.64 -3.206661844e+00 -3.960369117e+00 -4.087577264e+00 2.66 -3.136543718e+00 -3.916522959e+00 -4.055186312e+00 2.68 -3.066405632e+00 -3.867938603e+00 -4.019758084e+00 2.70 -2.996358914e+00 -3.815043679e+00 -3.981485553e+00 2.72 -2.926503870e+00 -3.758356044e+00 -3.940505753e+00 2.74 -2.856932548e+00 -3.698465728e+00 -3.896928319e+00 2.76 -2.787729628e+00 -3.636001253e+00 -3.850836490e+00 2.78 -2.718971935e+00 -3.571584764e+00 -3.802307819e+00 2.80 -2.650727295e+00 -3.505785838e+00 -3.751429400e+00 2.82 -2.583053457e+00 -3.439085397e+00 -3.698305050e+00 2.84 -2.515997677e+00 -3.371857691e+00 -3.643056506e+00 2.86 -2.449597330e+00 -3.304371748e+00 -3.585820906e+00 2.88 -2.383881662e+00 -3.236807692e+00 -3.526746455e+00 2.90 -2.318874499e+00 -3.169280372e+00 -3.465987615e+00 2.92 -2.254597534e+00 -3.101863293e+00 -3.403700686e+00 2.94 -2.191073618e+00 -3.034608287e+00 -3.340040297e+00 2.96 -2.128329511e+00 -2.967559232e+00 -3.275157158e+00 2.98 -2.066397626e+00 -2.900760063e+00 -3.209197289e+00 3.00 -2.005316536e+00 -2.834258446e+00 -3.142302868e+00 3.02 -1.945130239e+00 -2.768106631e+00 -3.074614776e+00 3.04 -1.885886427e+00 -2.702360833e+00 -3.006276683e+00 3.06 -1.827634099e+00 -2.637080043e+00 -2.937440292e+00 3.08 -1.770420982e+00 -2.572324790e+00 -2.868270894e+00 3.10 -1.714291097e+00 -2.508156027e+00 -2.798952001e+00 3.12 -1.659282806e+00 -2.444634145e+00 -2.729687480e+00 3.14 -1.605427467e+00 -2.381818033e+00 -2.660699674e+00 3.16 -1.552748732e+00 -2.319764117e+00 -2.592222617e+00 3.18 -1.501262409e+00 -2.258525362e+00 -2.524490591e+00 3.20 -1.450976715e+00 -2.198150314e+00 -2.457723729e+00 3.22 -1.401892728e+00 -2.138682273e+00 -2.392113476e+00 3.24 -1.354004870e+00 -2.080158699e+00 -2.327811005e+00 3.26 -1.307301278e+00 -2.022610902e+00 -2.264920948e+00 3.28 -1.261764012e+00 -1.966064044e+00 -2.203501251e+00 3.30 -1.217369098e+00 -1.910537372e+00 -2.143568411e+00 3.32 -1.174086468e+00 -1.856044602e+00 -2.085106181e+00 3.34 -1.131879878e+00 -1.802594335e+00 -2.028075573e+00 3.36 -1.090706937e+00 -1.750190412e+00 -1.972424254e+00 3.38 -1.050519333e+00 -1.698832130e+00 -1.918094183e+00 3.40 -1.011263400e+00 -1.648514303e+00 -1.865027010e+00 3.42 -9.728811180e-01 -1.599227211e+00 -1.813167369e+00 3.44 -9.353116718e-01 -1.550956480e+00 -1.762464472e+00 3.46 -8.984936517e-01 -1.503682998e+00 -1.712872572e+00 3.48 -8.623679645e-01 -1.457382957e+00 -1.664350809e+00 3.50 -8.268814344e-01 -1.412028067e+00 -1.616862852e+00 3.52 -7.919909653e-01 -1.367586006e+00 -1.570376594e+00 3.54 -7.576679612e-01 -1.324021077e+00 -1.524864022e+00 3.56 -7.239024979e-01 -1.281295057e+00 -1.480301236e+00 3.58 -6.907065398e-01 -1.239368189e+00 -1.436668558e+00 3.60 -6.581153726e-01 -1.198200276e+00 -1.393950579e+00 3.62 -6.261864703e-01 -1.157751868e+00 -1.352136062e+00 3.64 -5.949952952e-01 -1.117985555e+00 -1.311217600e+00 3.66 -5.646280697e-01 -1.078867429e+00 -1.271191027e+00 3.68 -5.351722491e-01 -1.040368761e+00 -1.232054614e+00 3.70 -5.067060796e-01 -1.002467956e+00 -1.193808117e+00 3.72 -4.792890084e-01 -9.651527617e-01 -1.156451780e+00 3.74 -4.529546523e-01 -9.284226148e-01 -1.119985369e+00 3.76 -4.277075250e-01 -8.922908928e-01 -1.084407318e+00 3.78 -4.035239327e-01 -8.567866956e-01 -1.049714034e+00 3.80 -3.803566341e-01 -8.219556963e-01 -1.015899362e+00 3.82 -3.581422486e-01 -7.878595828e-01 -9.829542266e-01 3.84 -3.368101050e-01 -7.545737136e-01 -9.508664183e-01 3.86 -3.162912253e-01 -7.221828466e-01 -9.196204915e-01 3.88 -2.965263367e-01 -6.907751427e-01 -8.891977513e-01 3.90 -2.774720820e-01 -6.604350218e-01 -8.595762928e-01 3.92 -2.591048840e-01 -6.312357562e-01 -8.307310698e-01 3.94 -2.414221845e-01 -6.032328168e-01 -8.026339734e-01 3.96 -2.244410379e-01 -5.764588888e-01 -7.752539076e-01 3.98 -2.081943077e-01 -5.509211640e-01 -7.485568575e-01 4.00 -1.927249833e-01 -5.266010826e-01 -7.225059481e-01 4.02 -1.780793752e-01 -5.034562723e-01 -6.970615028e-01 4.04 -1.643000991e-01 -4.814241221e-01 -6.721811113e-01 4.06 -1.514197710e-01 -4.604262891e-01 -6.478197255e-01 4.08 -1.394561857e-01 -4.403734687e-01 -6.239298085e-01 4.10 -1.284094709e-01 -4.211699012e-01 -6.004615645e-01 4.12 -1.182613490e-01 -4.027172924e-01 -5.773632884e-01 4.14 -1.089763106e-01 -3.849180141e-01 -5.545818772e-01 4.16 -1.005042519e-01 -3.676776063e-01 -5.320635492e-01 4.18 -9.278401280e-02 -3.509067022e-01 -5.097548240e-01 4.20 -8.574725916e-02 -3.345225448e-01 -4.876038098e-01 4.22 -7.932225143e-02 -3.184502712e-01 -4.655618392e-01 4.24 -7.343718755e-02 -3.026241185e-01 -4.435854762e-01 4.26 -6.802295682e-02 -2.869886626e-01 -4.216388867e-01 4.28 -6.301511942e-02 -2.715001426e-01 -3.996965208e-01 4.30 -5.835562213e-02 -2.561278626e-01 -3.777459937e-01 4.32 -5.399403568e-02 -2.408555884e-01 -3.557909818e-01 4.34 -4.988768863e-02 -2.256827920e-01 -3.338538721e-01 4.36 -4.600194015e-02 -2.106255379e-01 -3.119778316e-01 4.38 -4.231012717e-02 -1.957167685e-01 -2.902279239e-01 4.40 -3.879321765e-02 -1.810057458e-01 -2.686908995e-01 4.42 -3.543919077e-02 -1.665564505e-01 -2.474733595e-01 4.44 -3.224216447e-02 -1.524448397e-01 -2.266981358e-01 4.46 -2.920129393e-02 -1.387550040e-01 -2.064989483e-01 4.48 -2.631948765e-02 -1.255744376e-01 -1.870136497e-01 4.50 -2.360201531e-02 -1.129887955e-01 -1.683766206e-01 4.52 -2.105510579e-02 -1.010766305e-01 -1.507110552e-01 4.54 -1.868428842e-02 -8.990464557e-02 -1.341219500e-01 4.56 -1.649392615e-02 -7.952394399e-02 -1.186905294e-01 4.58 -1.448651377e-02 -6.996762210e-02 -1.044706480e-01 4.60 -1.266172132e-02 -6.124985843e-02 -9.148741369e-02 4.62 -1.101625874e-02 -5.336644680e-02 -7.973796917e-02 4.64 -9.544032266e-03 -4.629654777e-02 -6.919410504e-02 4.66 -8.236522600e-03 -4.000531124e-02 -5.980619831e-02 4.68 -7.083302584e-03 -3.444699710e-02 -5.150790443e-02 4.70 -6.072614432e-03 -2.956822855e-02 -4.422106010e-02 4.72 -5.191939369e-03 -2.531092487e-02 -3.786034370e-02 4.74 -4.428511164e-03 -2.161454682e-02 -3.233739974e-02 4.76 -3.769744472e-03 -1.842028889e-02 -2.756423739e-02 4.78 -3.203566042e-03 -1.567145871e-02 -2.345527906e-02 4.80 -2.718649866e-03 -1.331439076e-02 -1.993007196e-02 4.82 -2.304565875e-03 -1.129937050e-02 -1.691529138e-02 4.84 -1.951856292e-03 -9.581136439e-03 -1.434387735e-02 4.86 -1.652055252e-03 -8.119060436e-03 -1.215542581e-02 4.88 -1.397666630e-03 -6.877094578e-03 -1.029621655e-02 4.90 -1.182113248e-03 -5.823560110e-03 -8.718965274e-03 4.92 -9.996682480e-04 -4.930838042e-03 -7.382402799e-03 4.94 -8.453770848e-04 -4.175006838e-03 -6.250758641e-03 4.96 -7.149763267e-04 -3.535460122e-03 -5.293204375e-03 4.98 -6.048136354e-04 -2.994527140e-03 -4.483294755e-03 5.00 -5.117717712e-04 -2.537110808e-03 -3.798431268e-03 5.02 -4.331983308e-04 -2.150352168e-03 -3.219362899e-03 5.04 -3.668420817e-04 -1.823325787e-03 -2.729731850e-03 5.06 -3.107961634e-04 -1.546767642e-03 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