# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = Al3Pd # 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 nan nan nan 1.14 nan nan nan 1.16 5.621417292e+02 nan nan 1.18 4.866148965e+02 nan nan 1.20 4.222749510e+02 nan nan 1.22 3.673015692e+02 nan nan 1.24 3.201910632e+02 nan nan 1.26 2.796986645e+02 5.636328874e+02 nan 1.28 2.447946118e+02 4.933022181e+02 nan 1.30 2.146271489e+02 4.326655995e+02 5.447765364e+02 1.32 1.884901378e+02 3.802514378e+02 4.785921405e+02 1.34 1.657910233e+02 3.348299651e+02 4.212762785e+02 1.36 1.460280273e+02 2.953687370e+02 3.715190721e+02 1.38 1.287776409e+02 2.610004195e+02 3.282200582e+02 1.40 1.136837801e+02 2.309969591e+02 2.904528536e+02 1.42 1.004469405e+02 2.047431829e+02 2.574362261e+02 1.44 8.881349623e+01 1.817166336e+02 2.285104427e+02 1.46 7.856737105e+01 1.614757446e+02 2.031163413e+02 1.48 6.952452961e+01 1.436493378e+02 1.807785190e+02 1.50 6.152840113e+01 1.279225112e+02 1.610925632e+02 1.52 5.444469948e+01 1.140226390e+02 1.437135822e+02 1.54 4.815684653e+01 1.017122901e+02 1.283445566e+02 1.56 4.256403764e+01 9.078758948e+01 1.147276770e+02 1.58 3.760978107e+01 8.107606133e+01 1.026401062e+02 1.60 3.326682540e+01 7.243097518e+01 9.189056007e+01 1.62 2.936318504e+01 6.472387904e+01 8.231408851e+01 1.64 2.587758612e+01 5.784003840e+01 7.376682613e+01 1.66 2.276002892e+01 5.167796775e+01 6.612313417e+01 1.68 1.996808944e+01 4.614997222e+01 5.927473330e+01 1.70 1.746502669e+01 4.118166834e+01 5.312886334e+01 1.72 1.521814409e+01 3.675263508e+01 4.760504656e+01 1.74 1.319838563e+01 3.279154961e+01 4.263196666e+01 1.76 1.138077293e+01 2.923444129e+01 3.814638070e+01 1.78 9.744359556e+00 2.601341914e+01 3.416275212e+01 1.80 8.271466643e+00 2.310602277e+01 3.059289232e+01 1.82 6.946406087e+00 2.047776418e+01 2.734803181e+01 1.84 5.754347990e+00 1.809885445e+01 2.441346517e+01 1.86 4.681273962e+00 1.594399713e+01 2.176124303e+01 1.88 3.714544607e+00 1.399207392e+01 1.936041052e+01 1.90 2.843215004e+00 1.222522385e+01 1.718326093e+01 1.92 2.058037407e+00 1.062736513e+01 1.520562940e+01 1.94 1.351308874e+00 9.182840996e+00 1.340674394e+01 1.96 7.163177294e-01 7.876057611e+00 1.176901902e+01 1.98 1.463810159e-01 6.692089040e+00 1.027746057e+01 2.00 -3.657135798e-01 5.617391291e+00 8.918751249e+00 2.02 -8.272565443e-01 4.640039125e+00 7.680655678e+00 2.04 -1.244599020e+00 3.749646745e+00 6.551853307e+00 2.06 -1.622631729e+00 2.937280720e+00 5.521985688e+00 2.08 -1.965067240e+00 2.195395980e+00 4.581591269e+00 2.10 -2.274944670e+00 1.517644271e+00 3.721991813e+00 2.12 -2.554935963e+00 8.986784658e-01 2.935419684e+00 2.14 -2.807478370e+00 3.340009163e-01 2.215323869e+00 2.16 -3.034763720e+00 -1.801819058e-01 1.556411874e+00 2.18 -3.238828815e+00 -6.471770235e-01 9.542682763e-01 2.20 -3.421618077e+00 -1.070132209e+00 4.047479349e-01 2.22 -3.584935450e+00 -1.452325725e+00 -9.645946974e-02 2.24 -3.730369478e+00 -1.797182981e+00 -5.538307315e-01 2.26 -3.859288618e+00 -2.108073940e+00 -9.716703705e-01 2.28 -3.972915463e+00 -2.388159037e+00 -1.353848106e+00 2.30 -4.072439789e+00 -2.640426121e+00 -1.703752070e+00 2.32 -4.159119105e+00 -2.867837086e+00 -2.024355441e+00 2.34 -4.234299152e+00 -3.073398864e+00 -2.318280175e+00 2.36 -4.299255568e+00 -3.260001037e+00 -2.587798507e+00 2.38 -4.354890122e+00 -3.430085438e+00 -2.834805387e+00 2.40 -4.401550045e+00 -3.585384683e+00 -3.060755593e+00 2.42 -4.439179162e+00 -3.726974906e+00 -3.266649640e+00 2.44 -4.467715727e+00 -3.855549041e+00 -3.453117232e+00 2.46 -4.487460488e+00 -3.971651331e+00 -3.620595995e+00 2.48 -4.499186475e+00 -4.075768117e+00 -3.769591966e+00 2.50 -4.503959632e+00 -4.168315566e+00 -3.900935258e+00 2.52 -4.502835049e+00 -4.249583061e+00 -4.015868825e+00 2.54 -4.496690832e+00 -4.319779415e+00 -4.115913360e+00 2.56 -4.486221422e+00 -4.379151078e+00 -4.202617357e+00 2.58 -4.471984306e+00 -4.428072618e+00 -4.277370148e+00 2.60 -4.454437675e+00 -4.467074372e+00 -4.341349784e+00 2.62 -4.433958845e+00 -4.496828532e+00 -4.395555846e+00 2.64 -4.410869792e+00 -4.518121321e+00 -4.440866152e+00 2.66 -4.385459972e+00 -4.531798758e+00 -4.478092248e+00 2.68 -4.357989665e+00 -4.538679843e+00 -4.508041203e+00 2.70 -4.328689310e+00 -4.539478712e+00 -4.531560123e+00 2.72 -4.297755542e+00 -4.534776173e+00 -4.549489265e+00 2.74 -4.265343504e+00 -4.525039772e+00 -4.562563678e+00 2.76 -4.231556546e+00 -4.510671670e+00 -4.571332283e+00 2.78 -4.196437661e+00 -4.492046271e+00 -4.576148817e+00 2.80 -4.159971579e+00 -4.469540735e+00 -4.577226665e+00 2.82 -4.122110080e+00 -4.443573895e+00 -4.574705520e+00 2.84 -4.082829859e+00 -4.414641263e+00 -4.568691378e+00 2.86 -4.042215580e+00 -4.383317189e+00 -4.559267698e+00 2.88 -4.000532765e+00 -4.350214918e+00 -4.546495376e+00 2.90 -3.958238694e+00 -4.315910959e+00 -4.530413426e+00 2.92 -3.915905620e+00 -4.280872452e+00 -4.511074616e+00 2.94 -3.874094024e+00 -4.245431515e+00 -4.488608581e+00 2.96 -3.833252886e+00 -4.209814529e+00 -4.463266256e+00 2.98 -3.793693209e+00 -4.174196212e+00 -4.435412555e+00 3.00 -3.755619064e+00 -4.138744357e+00 -4.405464526e+00 3.02 -3.719172461e+00 -4.103641328e+00 -4.373811076e+00 3.04 -3.684463313e+00 -4.069085922e+00 -4.340759339e+00 3.06 -3.651580158e+00 -4.035280168e+00 -4.306524409e+00 3.08 -3.620587150e+00 -4.002404958e+00 -4.271247648e+00 3.10 -3.591515918e+00 -3.970610873e+00 -4.235021207e+00 3.12 -3.564362839e+00 -3.940016107e+00 -4.197906523e+00 3.14 -3.539090253e+00 -3.910704591e+00 -4.159945378e+00 3.16 -3.515629581e+00 -3.882724428e+00 -4.121168153e+00 3.18 -3.493886988e+00 -3.856087138e+00 -4.081606390e+00 3.20 -3.473753953e+00 -3.830768711e+00 -4.041309426e+00 3.22 -3.455123765e+00 -3.806713799e+00 -4.000367865e+00 3.24 -3.437913276e+00 -3.783844078e+00 -3.958944935e+00 3.26 -3.422085889e+00 -3.762070265e+00 -3.917310208e+00 3.28 -3.407666429e+00 -3.741304366e+00 -3.875861318e+00 3.30 -3.394734899e+00 -3.721466048e+00 -3.835112312e+00 3.32 -3.383390311e+00 -3.702477895e+00 -3.795632427e+00 3.34 -3.373691553e+00 -3.684251107e+00 -3.757943713e+00 3.36 -3.365600970e+00 -3.666672935e+00 -3.722417780e+00 3.38 -3.358959921e+00 -3.649611231e+00 -3.689221411e+00 3.40 -3.353506784e+00 -3.632943603e+00 -3.658332761e+00 3.42 -3.348922532e+00 -3.616602523e+00 -3.629608028e+00 3.44 -3.344878727e+00 -3.600613804e+00 -3.602858522e+00 3.46 -3.341070398e+00 -3.585103880e+00 -3.577908027e+00 3.48 -3.337229832e+00 -3.570264956e+00 -3.554621528e+00 3.50 -3.333126044e+00 -3.556291020e+00 -3.532910923e+00 3.52 -3.328556005e+00 -3.543315703e+00 -3.512725646e+00 3.54 -3.323326642e+00 -3.531379618e+00 -3.494023404e+00 3.56 -3.317244583e+00 -3.520435453e+00 -3.476747806e+00 3.58 -3.310122195e+00 -3.510376995e+00 -3.460826127e+00 3.60 -3.301789509e+00 -3.501071325e+00 -3.446168435e+00 3.62 -3.292109441e+00 -3.492381821e+00 -3.432666261e+00 3.64 -3.280992057e+00 -3.484179316e+00 -3.420191213e+00 3.66 -3.268401839e+00 -3.476344170e+00 -3.408594358e+00 3.68 -3.254353385e+00 -3.468762431e+00 -3.397707798e+00 3.70 -3.238896793e+00 -3.461317733e+00 -3.387350395e+00 3.72 -3.222101157e+00 -3.453888053e+00 -3.377339585e+00 3.74 -3.204047181e+00 -3.446346290e+00 -3.367510246e+00 3.76 -3.184834071e+00 -3.438561073e+00 -3.357738933e+00 3.78 -3.164594413e+00 -3.430397641e+00 -3.347967750e+00 3.80 -3.143503556e+00 -3.421718864e+00 -3.338218473e+00 3.82 -3.121771116e+00 -3.412386494e+00 -3.328587244e+00 3.84 -3.099610331e+00 -3.402262910e+00 -3.319216169e+00 3.86 -3.077194921e+00 -3.391213696e+00 -3.310249106e+00 3.88 -3.054621966e+00 -3.379111625e+00 -3.301788233e+00 3.90 -3.031896876e+00 -3.365842733e+00 -3.293868084e+00 3.92 -3.008943340e+00 -3.351315229e+00 -3.286453998e+00 3.94 -2.985631976e+00 -3.335471681e+00 -3.279459666e+00 3.96 -2.961816024e+00 -3.318304091e+00 -3.272772081e+00 3.98 -2.937360201e+00 -3.299869775e+00 -3.266273650e+00 4.00 -2.912157849e+00 -3.280303597e+00 -3.259856529e+00 4.02 -2.886137395e+00 -3.259819898e+00 -3.253429010e+00 4.04 -2.859261436e+00 -3.238697214e+00 -3.246916121e+00 4.06 -2.831521233e+00 -3.217242876e+00 -3.240256600e+00 4.08 -2.802923002e+00 -3.195742739e+00 -3.233396068e+00 4.10 -2.773476256e+00 -3.174410205e+00 -3.226281842e+00 4.12 -2.743192678e+00 -3.153351863e+00 -3.218862398e+00 4.14 -2.712086153e+00 -3.132561034e+00 -3.211087314e+00 4.16 -2.680172826e+00 -3.111938405e+00 -3.202907184e+00 4.18 -2.647471155e+00 -3.091328680e+00 -3.194273531e+00 4.20 -2.614001932e+00 -3.070559249e+00 -3.185138713e+00 4.22 -2.579788338e+00 -3.049470710e+00 -3.175455834e+00 4.24 -2.544855969e+00 -3.027935414e+00 -3.165178680e+00 4.26 -2.509232852e+00 -3.005864989e+00 -3.154261650e+00 4.28 -2.472949456e+00 -2.983210062e+00 -3.142659722e+00 4.30 -2.436038698e+00 -2.959955267e+00 -3.130328426e+00 4.32 -2.398535914e+00 -2.936106374e+00 -3.117223835e+00 4.34 -2.360478875e+00 -2.911673404e+00 -3.103302573e+00 4.36 -2.321907684e+00 -2.886667260e+00 -3.088521846e+00 4.38 -2.282864786e+00 -2.861099627e+00 -3.072839504e+00 4.40 -2.243394854e+00 -2.834982925e+00 -3.056214176e+00 4.42 -2.203544719e+00 -2.808330229e+00 -3.038605506e+00 4.44 -2.163363268e+00 -2.781155220e+00 -3.019974576e+00 4.46 -2.122901294e+00 -2.753472129e+00 -3.000284616e+00 4.48 -2.082211429e+00 -2.725295682e+00 -2.979502128e+00 4.50 -2.041347890e+00 -2.696641051e+00 -2.957598620e+00 4.52 -2.000366386e+00 -2.667523817e+00 -2.934553053e+00 4.54 -1.959323871e+00 -2.637959930e+00 -2.910355197e+00 4.56 -1.918278414e+00 -2.607965673e+00 -2.885009757e+00 4.58 -1.877288878e+00 -2.577557638e+00 -2.858541025e+00 4.60 -1.836414771e+00 -2.546752703e+00 -2.830997258e+00 4.62 -1.795715923e+00 -2.515568009e+00 -2.802453570e+00 4.64 -1.755252282e+00 -2.484020949e+00 -2.773011753e+00 4.66 -1.715083678e+00 -2.452129164e+00 -2.742795540e+00 4.68 -1.675269423e+00 -2.419910527e+00 -2.711940780e+00 4.70 -1.635868233e+00 -2.387383151e+00 -2.680581434e+00 4.72 -1.596937708e+00 -2.354565380e+00 -2.648834276e+00 4.74 -1.558534291e+00 -2.321475802e+00 -2.616786084e+00 4.76 -1.520712877e+00 -2.288133257e+00 -2.584486707e+00 4.78 -1.483526738e+00 -2.254556823e+00 -2.551949459e+00 4.80 -1.447026892e+00 -2.220765835e+00 -2.519157915e+00 4.82 -1.411262424e+00 -2.186779902e+00 -2.486076444e+00 4.84 -1.376279769e+00 -2.152618880e+00 -2.452661431e+00 4.86 -1.342122774e+00 -2.118302894e+00 -2.418870846e+00 4.88 -1.308832558e+00 -2.083852332e+00 -2.384670987e+00 4.90 -1.276447365e+00 -2.049287839e+00 -2.350040315e+00 4.92 -1.245001901e+00 -2.014630300e+00 -2.314970860e+00 4.94 -1.214528292e+00 -1.979900837e+00 -2.279467960e+00 4.96 -1.185054357e+00 -1.945120784e+00 -2.243548941e+00 4.98 -1.156605023e+00 -1.910311645e+00 -2.207239706e+00 5.00 -1.129201319e+00 -1.875495152e+00 -2.170568711e+00 5.02 -1.102860329e+00 -1.840693114e+00 -2.133565252e+00 5.04 -1.077594716e+00 -1.805927490e+00 -2.096259451e+00 5.06 -1.053414082e+00 -1.771220331e+00 -2.058682239e+00 5.08 -1.030322174e+00 -1.736593734e+00 -2.020865427e+00 5.10 -1.008319699e+00 -1.702069834e+00 -1.982841637e+00 5.12 -9.874007235e-01 -1.667670693e+00 -1.944644402e+00 5.14 -9.675564853e-01 -1.633418525e+00 -1.906308126e+00 5.16 -9.487723068e-01 -1.599335259e+00 -1.867868106e+00 5.18 -9.310285703e-01 -1.565442949e+00 -1.829360556e+00 5.20 -9.143005540e-01 -1.531763460e+00 -1.790822554e+00 5.22 -8.985588000e-01 -1.498318516e+00 -1.752292244e+00 5.24 -8.837688402e-01 -1.465129724e+00 -1.713808531e+00 5.26 -8.698901099e-01 -1.432218201e+00 -1.675411411e+00 5.28 -8.568796307e-01 -1.399605285e+00 -1.637141779e+00 5.30 -8.446897548e-01 -1.367311408e+00 -1.599041445e+00 5.32 -8.332651640e-01 -1.335356753e+00 -1.561153184e+00 5.34 -8.225528922e-01 -1.303760902e+00 -1.523520742e+00 5.36 -8.124892380e-01 -1.272542427e+00 -1.486188750e+00 5.38 -8.030146451e-01 -1.241718842e+00 -1.449202600e+00 5.40 -7.940594955e-01 -1.211306979e+00 -1.412608569e+00 5.42 -7.855563977e-01 -1.181320650e+00 -1.376453800e+00 5.44 -7.774332243e-01 -1.151773330e+00 -1.340786121e+00 5.46 -7.696128109e-01 -1.122675561e+00 -1.305653588e+00 5.48 -7.620203240e-01 -1.094035634e+00 -1.271105054e+00 5.50 -7.545733431e-01 -1.065859637e+00 -1.237189551e+00 5.52 -7.471881141e-01 -1.038151373e+00 -1.203956174e+00 5.54 -7.397795270e-01 -1.010911652e+00 -1.171453473e+00 5.56 -7.322467257e-01 -9.841440065e-01 -1.139730163e+00 5.58 -7.245033279e-01 -9.578492203e-01 -1.108833475e+00 5.60 -7.164375941e-01 -9.320327955e-01 -1.078810039e+00 5.62 -7.079483564e-01 -9.067069569e-01 -1.049704338e+00 5.64 -6.989111865e-01 -8.818926417e-01 -1.021558782e+00 5.66 -6.892193581e-01 -8.576237520e-01 -9.944133927e-01 5.68 -6.787198354e-01 -8.339500642e-01 -9.683050941e-01 5.70 -6.673032951e-01 -8.109340004e-01 -9.432645972e-01 5.72 -6.548332065e-01 -7.886641944e-01 -9.193224744e-01 5.74 -6.411451898e-01 -7.672346133e-01 -8.965002289e-01 5.76 -6.261407295e-01 -7.467492740e-01 -8.748149244e-01 5.78 -6.097090364e-01 -7.273076652e-01 -8.542782567e-01 5.80 -5.917601662e-01 -7.090036988e-01 -8.348944281e-01 5.82 -5.721357209e-01 -6.918968470e-01 -8.166607348e-01 5.84 -5.508911784e-01 -6.760236323e-01 -7.995666311e-01 5.86 -5.281063003e-01 -6.613863730e-01 -7.835929178e-01 5.88 -5.039103291e-01 -6.479477224e-01 -7.687180980e-01 5.90 -4.785107923e-01 -6.356418840e-01 -7.549074485e-01 5.92 -4.521956974e-01 -6.243735400e-01 -7.421219370e-01 5.94 -4.253283672e-01 -6.140339063e-01 -7.303165063e-01 5.96 -3.983368063e-01 -6.045062763e-01 -7.194396498e-01 5.98 -3.717039419e-01 -5.956681133e-01 -7.094317765e-01 6.00 -3.459688359e-01 -5.874086407e-01 -7.002352900e-01