# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Pd # 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 5.552147983e+02 nan nan 0.92 5.064198567e+02 nan nan 0.94 4.629379519e+02 nan nan 0.96 4.240890840e+02 nan nan 0.98 3.892840574e+02 5.562789353e+02 nan 1.00 3.580131450e+02 5.111571493e+02 5.751802442e+02 1.02 3.298387643e+02 4.706011476e+02 5.293510658e+02 1.04 3.043782149e+02 4.340703259e+02 4.880700012e+02 1.06 2.813026760e+02 4.010891663e+02 4.508132198e+02 1.08 2.603250421e+02 3.712377830e+02 4.171132615e+02 1.10 2.412028571e+02 3.441553104e+02 3.865668423e+02 1.12 2.237214036e+02 3.195208635e+02 3.588139123e+02 1.14 2.076976255e+02 2.970537578e+02 3.335406424e+02 1.16 1.929708252e+02 2.765121604e+02 3.104706267e+02 1.18 1.794040103e+02 2.576822392e+02 2.893589367e+02 1.20 1.668777037e+02 2.403769591e+02 2.699937204e+02 1.22 1.552858981e+02 2.244325640e+02 2.521869010e+02 1.24 1.445396074e+02 2.097086889e+02 2.357727156e+02 1.26 1.345600970e+02 1.960801820e+02 2.206087587e+02 1.28 1.252782659e+02 1.834378890e+02 2.065683844e+02 1.30 1.166329852e+02 1.716850804e+02 1.935389184e+02 1.32 1.085722212e+02 1.607406145e+02 1.814240003e+02 1.34 1.010484326e+02 1.505317100e+02 1.701383439e+02 1.36 9.401945943e+01 1.409932780e+02 1.596060868e+02 1.38 8.744755183e+01 1.320692724e+02 1.497601951e+02 1.40 8.130039471e+01 1.237090438e+02 1.405424025e+02 1.42 7.554754470e+01 1.158681113e+02 1.319015454e+02 1.44 7.016197917e+01 1.085080130e+02 1.237914320e+02 1.46 6.511917642e+01 1.015933110e+02 1.161710707e+02 1.48 6.039604148e+01 9.509231018e+01 1.090035194e+02 1.50 5.597288073e+01 8.897711004e+01 1.022564959e+02 1.52 5.183038080e+01 8.322225373e+01 9.590193853e+01 1.54 4.795106436e+01 7.780365551e+01 8.991349909e+01 1.56 4.431894834e+01 7.270034042e+01 8.426651996e+01 1.58 4.091912232e+01 6.789336599e+01 7.894064370e+01 1.60 3.773659531e+01 6.336583635e+01 7.391617319e+01 1.62 3.475908121e+01 5.910101288e+01 6.917418995e+01 1.64 3.197442156e+01 5.508364693e+01 6.469934145e+01 1.66 2.937088960e+01 5.130016026e+01 6.047642960e+01 1.68 2.693791530e+01 4.773759677e+01 5.649123283e+01 1.70 2.466528745e+01 4.438367379e+01 5.273054346e+01 1.72 2.249541578e+01 4.122668653e+01 4.918241476e+01 1.74 2.051218913e+01 3.825608127e+01 4.583541535e+01 1.76 1.865598671e+01 3.546167816e+01 4.267870924e+01 1.78 1.692248997e+01 3.283335405e+01 3.970144438e+01 1.80 1.530362900e+01 3.036238266e+01 3.689486996e+01 1.82 1.379235528e+01 2.804045107e+01 3.425029657e+01 1.84 1.238289714e+01 2.585942121e+01 3.175920563e+01 1.86 1.106929741e+01 2.381138316e+01 2.941330568e+01 1.88 9.846027979e+00 2.184057571e+01 2.720499381e+01 1.90 8.707934926e+00 2.003169083e+01 2.512722360e+01 1.92 7.650106023e+00 1.833251370e+01 2.317308217e+01 1.94 6.667883673e+00 1.673670337e+01 2.128660623e+01 1.96 5.756868258e+00 1.523875521e+01 1.955375927e+01 1.98 4.912299626e+00 1.383310482e+01 1.792372566e+01 2.00 4.130611418e+00 1.251519780e+01 1.639043263e+01 2.02 3.408415067e+00 1.128039901e+01 1.494801701e+01 2.04 2.742010894e+00 1.012427909e+01 1.359257315e+01 2.06 2.128157929e+00 9.042456276e+00 1.231975977e+01 2.08 1.563703231e+00 8.030861725e+00 1.112530104e+01 2.10 1.045682451e+00 7.086043457e+00 1.000507599e+01 2.12 5.712409222e-01 6.204077001e+00 8.954864339e+00 2.14 1.376709345e-01 5.381789811e+00 7.971495936e+00 2.16 -2.575940666e-01 4.615947853e+00 7.051473779e+00 2.18 -6.169147251e-01 3.903504007e+00 6.191448802e+00 2.20 -9.424452029e-01 3.241647409e+00 5.388272220e+00 2.22 -1.236638590e+00 2.627404786e+00 4.638939637e+00 2.24 -1.501561297e+00 2.058259999e+00 3.940587422e+00 2.26 -1.739171246e+00 1.531752244e+00 3.290489311e+00 2.28 -1.951000504e+00 1.045473256e+00 2.685975303e+00 2.30 -2.139101936e+00 5.971218037e-01 2.124631143e+00 2.32 -2.305307989e+00 1.844935690e-01 1.604134051e+00 2.34 -2.451298980e+00 -1.944535576e-01 1.122239798e+00 2.36 -2.578290000e+00 -5.416884179e-01 6.768098704e-01 2.38 -2.687762352e+00 -8.589072856e-01 2.656123410e-01 2.40 -2.781006567e+00 -1.148042545e+00 -1.132720924e-01 2.42 -2.859245888e+00 -1.410906280e+00 -4.614813462e-01 2.44 -2.923772327e+00 -1.649080956e+00 -7.807206513e-01 2.46 -2.975490340e+00 -1.864092998e+00 -1.072522000e+00 2.48 -3.015538981e+00 -2.057136504e+00 -1.338726973e+00 2.50 -3.044922182e+00 -2.229815142e+00 -1.581093780e+00 2.52 -3.064369138e+00 -2.383503502e+00 -1.800838313e+00 2.54 -3.074949868e+00 -2.519462506e+00 -1.999192203e+00 2.56 -3.077472418e+00 -2.638889783e+00 -2.177425652e+00 2.58 -3.072692140e+00 -2.742922117e+00 -2.336966311e+00 2.60 -3.061312946e+00 -2.832637758e+00 -2.479011210e+00 2.62 -3.043989849e+00 -2.909058607e+00 -2.604698789e+00 2.64 -3.021331642e+00 -2.973152243e+00 -2.715111363e+00 2.66 -2.993984882e+00 -3.025842536e+00 -2.811369274e+00 2.68 -2.962466718e+00 -3.068012412e+00 -2.894447908e+00 2.70 -2.927179530e+00 -3.100411727e+00 -2.965182437e+00 2.72 -2.888569815e+00 -3.123771767e+00 -3.024448986e+00 2.74 -2.847050028e+00 -3.138696738e+00 -3.073050329e+00 2.76 -2.803000098e+00 -3.146080553e+00 -3.111701403e+00 2.78 -2.756790532e+00 -3.146828278e+00 -3.141292759e+00 2.80 -2.708810412e+00 -3.141480368e+00 -3.162469662e+00 2.82 -2.658711564e+00 -3.130371548e+00 -3.175739986e+00 2.84 -2.606972327e+00 -3.114032200e+00 -3.181897258e+00 2.86 -2.554038283e+00 -3.092958524e+00 -3.181529295e+00 2.88 -2.500204765e+00 -3.067613727e+00 -3.175189852e+00 2.90 -2.445823349e+00 -3.038457494e+00 -3.163398974e+00 2.92 -2.391070985e+00 -3.006167558e+00 -3.146644496e+00 2.94 -2.336117286e+00 -2.970788290e+00 -3.125383511e+00 2.96 -2.281336107e+00 -2.932669359e+00 -3.100043806e+00 2.98 -2.226787703e+00 -2.892135033e+00 -3.071025260e+00 3.00 -2.172487983e+00 -2.849485648e+00 -3.038701225e+00 3.02 -2.118460110e+00 -2.804998976e+00 -3.003419865e+00 3.04 -2.064801509e+00 -2.758928160e+00 -2.965505400e+00 3.06 -2.011606936e+00 -2.711383538e+00 -2.925270350e+00 3.08 -1.959222665e+00 -2.662044377e+00 -2.883350216e+00 3.10 -1.907524799e+00 -2.611658769e+00 -2.839630635e+00 3.12 -1.856463681e+00 -2.560527320e+00 -2.794340597e+00 3.14 -1.806092477e+00 -2.508799559e+00 -2.747748999e+00 3.16 -1.756458747e+00 -2.456715551e+00 -2.699336028e+00 3.18 -1.707602179e+00 -2.404411795e+00 -2.649863849e+00 3.20 -1.659557268e+00 -2.352012413e+00 -2.599408712e+00 3.22 -1.612352295e+00 -2.299630347e+00 -2.548672887e+00 3.24 -1.566013722e+00 -2.247362235e+00 -2.497592176e+00 3.26 -1.520562654e+00 -2.195595280e+00 -2.446223226e+00 3.28 -1.476007562e+00 -2.144207150e+00 -2.394689503e+00 3.30 -1.432362463e+00 -2.093170964e+00 -2.343103555e+00 3.32 -1.389614980e+00 -2.042554627e+00 -2.291567911e+00 3.34 -1.347702969e+00 -1.992419031e+00 -2.240175748e+00 3.36 -1.306613866e+00 -1.942818493e+00 -2.189011534e+00 3.38 -1.266409933e+00 -1.893801631e+00 -2.138151642e+00 3.40 -1.227143487e+00 -1.845424012e+00 -2.087665074e+00 3.42 -1.188843312e+00 -1.797890479e+00 -2.037613935e+00 3.44 -1.151499620e+00 -1.751042036e+00 -1.988053491e+00 3.46 -1.115074118e+00 -1.704908166e+00 -1.939033441e+00 3.48 -1.079548728e+00 -1.659513305e+00 -1.890598084e+00 3.50 -1.044915719e+00 -1.614878881e+00 -1.842785654e+00 3.52 -1.011157782e+00 -1.571021872e+00 -1.795631419e+00 3.54 -9.782296192e-01 -1.527962744e+00 -1.749163966e+00 3.56 -9.461482716e-01 -1.485704611e+00 -1.703410544e+00 3.58 -9.149114286e-01 -1.444255974e+00 -1.658391599e+00 3.60 -8.845245752e-01 -1.403628164e+00 -1.614126998e+00 3.62 -8.548730772e-01 -1.363783148e+00 -1.570631427e+00 3.64 -8.256989486e-01 -1.324683811e+00 -1.527923694e+00 3.66 -7.972488081e-01 -1.286324085e+00 -1.486003528e+00 3.68 -7.697289698e-01 -1.248748848e+00 -1.444880632e+00 3.70 -7.432976801e-01 -1.212012202e+00 -1.404562581e+00 3.72 -7.180633564e-01 -1.176139897e+00 -1.365004842e+00 3.74 -6.940364135e-01 -1.141096544e+00 -1.326170164e+00 3.76 -6.713857594e-01 -1.106860860e+00 -1.288207707e+00 3.78 -6.500977610e-01 -1.073424655e+00 -1.251089099e+00 3.80 -6.295928240e-01 -1.040781041e+00 -1.214787246e+00 3.82 -6.094399423e-01 -1.008881789e+00 -1.179322087e+00 3.84 -5.893404335e-01 -9.777253676e-01 -1.144659401e+00 3.86 -5.690990800e-01 -9.473295222e-01 -1.110779083e+00 3.88 -5.486006002e-01 -9.177107522e-01 -1.077673494e+00 3.90 -5.277897192e-01 -8.888586530e-01 -1.045337603e+00 3.92 -5.066408233e-01 -8.605133361e-01 -1.013723318e+00 3.94 -4.851897161e-01 -8.326254965e-01 -9.829441374e-01 3.96 -4.635018075e-01 -8.054205715e-01 -9.529237918e-01 3.98 -4.416301129e-01 -7.790677659e-01 -9.236504500e-01 4.00 -4.195567417e-01 -7.536892718e-01 -8.951213835e-01 4.02 -3.975253520e-01 -7.293690122e-01 -8.671518583e-01 4.04 -3.757706842e-01 -7.061909424e-01 -8.395812485e-01 4.06 -3.544723793e-01 -6.843059727e-01 -8.126288765e-01 4.08 -3.337650790e-01 -6.636796698e-01 -7.864659932e-01 4.10 -3.137468267e-01 -6.438417084e-01 -7.612183489e-01 4.12 -2.944860487e-01 -6.243937460e-01 -7.369743282e-01 4.14 -2.760273392e-01 -6.050517378e-01 -7.138081549e-01 4.16 -2.583962471e-01 -5.856224653e-01 -6.918070048e-01 4.18 -2.416032248e-01 -5.659841491e-01 -6.711680799e-01 4.20 -2.256468788e-01 -5.460705024e-01 -6.514537417e-01 4.22 -2.105166360e-01 -5.258576718e-01 -6.322427362e-01 4.24 -1.961949239e-01 -5.053536012e-01 -6.132288802e-01 4.26 -1.826589468e-01 -4.845855839e-01 -5.941981946e-01 4.28 -1.698821267e-01 -4.635555188e-01 -5.750098989e-01 4.30 -1.578352655e-01 -4.423530110e-01 -5.555806771e-01 4.32 -1.464874763e-01 -4.210510469e-01 -5.358717042e-01 4.34 -1.358069252e-01 -3.998359284e-01 -5.158780040e-01 4.36 -1.257614178e-01 -3.789016408e-01 -4.956190362e-01 4.38 -1.163188566e-01 -3.583983340e-01 -4.751191247e-01 4.40 -1.074475935e-01 -3.384399874e-01 -4.544271338e-01 4.42 -9.911669700e-02 -3.191108506e-01 -4.335149136e-01 4.44 -9.129614924e-02 -3.004708474e-01 -4.125710856e-01 4.46 -8.395698826e-02 -2.825601009e-01 -3.918062994e-01 4.48 -7.707140421e-02 -2.654027153e-01 -3.713856562e-01 4.50 -7.061280037e-02 -2.490099283e-01 -3.514364657e-01 4.52 -6.455869557e-02 -2.333827329e-01 -3.320547956e-01 4.54 -5.909856896e-02 -2.185140528e-01 -3.133109902e-01 4.56 -5.426888357e-02 -2.043904163e-01 -2.952543163e-01 4.58 -4.973119567e-02 -1.909831538e-01 -2.779168597e-01 4.60 -4.546834371e-02 -1.785702866e-01 -2.613167913e-01 4.62 -4.146409202e-02 -1.670970952e-01 -2.454610974e-01 4.64 -3.770309713e-02 -1.562353971e-01 -2.303478573e-01 4.66 -3.417087211e-02 -1.459697546e-01 -2.159681380e-01 4.68 -3.085374931e-02 -1.362739463e-01 -2.023075632e-01 4.70 -2.773884246e-02 -1.271216170e-01 -1.893476098e-01 4.72 -2.481760400e-02 -1.184866108e-01 -1.770666752e-01 4.74 -2.210078928e-02 -1.103431979e-01 -1.654409527e-01 4.76 -2.046415474e-02 -1.026662475e-01 -1.544451442e-01 4.78 -1.897272421e-02 -9.543135735e-02 -1.440530368e-01 4.80 -1.757661605e-02 -8.860708633e-02 -1.342379678e-01 4.82 -1.626611487e-02 -8.241105653e-02 -1.249731937e-01 4.84 -1.503606541e-02 -7.666332111e-02 -1.162321843e-01 4.86 -1.388161796e-02 -7.124555967e-02 -1.079888489e-01 4.88 -1.279821041e-02 -6.613960276e-02 -1.002177107e-01 4.90 -1.178155145e-02 -6.132813836e-02 -9.289403643e-02 4.92 -1.082760477e-02 -5.679469906e-02 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