# 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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = Mn3Pd # 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 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 1.864685794e+00 nan nan 1.76 2.631841836e+00 nan nan 1.78 3.100523899e+00 nan nan 1.80 3.311620429e+00 nan nan 1.82 3.304536880e+00 nan nan 1.84 3.115523291e+00 nan nan 1.86 2.774022975e+00 nan nan 1.88 2.303488229e+00 nan nan 1.90 1.727722480e+00 8.447278233e-01 nan 1.92 1.074907589e+00 1.214692825e+00 nan 1.94 3.780771347e-01 1.470085087e+00 nan 1.96 -3.262648448e-01 1.633435747e+00 2.864515811e+00 1.98 -1.000676807e+00 1.707954154e+00 3.376452175e+00 2.00 -1.610960583e+00 1.690401895e+00 3.680005679e+00 2.02 -2.149663181e+00 1.579096066e+00 3.797289894e+00 2.04 -2.629509956e+00 1.377838083e+00 3.747371951e+00 2.06 -3.060408142e+00 1.094981858e+00 3.546765766e+00 2.08 -3.449186100e+00 7.413203081e-01 3.212011732e+00 2.10 -3.800093871e+00 3.286200648e-01 2.761472874e+00 2.12 -4.115882133e+00 -1.305742497e-01 2.215649102e+00 2.14 -4.398389646e+00 -6.228011462e-01 1.597053603e+00 2.16 -4.648716967e+00 -1.133370668e+00 9.301141535e-01 2.18 -4.867477377e+00 -1.646199948e+00 2.413671132e-01 2.20 -5.055389684e+00 -2.144133936e+00 -4.411054517e-01 2.22 -5.213583833e+00 -2.610119570e+00 -1.089287741e+00 2.24 -5.343456035e+00 -3.030111693e+00 -1.679455210e+00 2.26 -5.446199885e+00 -3.405670770e+00 -2.211369681e+00 2.28 -5.522674149e+00 -3.743315324e+00 -2.692646586e+00 2.30 -5.573496594e+00 -4.048340228e+00 -3.129610992e+00 2.32 -5.599359052e+00 -4.324765208e+00 -3.526974935e+00 2.34 -5.601191294e+00 -4.575648060e+00 -3.888064166e+00 2.36 -5.580065668e+00 -4.803308113e+00 -4.215256218e+00 2.38 -5.536786891e+00 -5.009390433e+00 -4.510430460e+00 2.40 -5.471544724e+00 -5.194670737e+00 -4.774949553e+00 2.42 -5.383970748e+00 -5.359122625e+00 -5.009613095e+00 2.44 -5.273571310e+00 -5.502235293e+00 -5.214556909e+00 2.46 -5.140450053e+00 -5.623278336e+00 -5.389236012e+00 2.48 -4.985873391e+00 -5.721408102e+00 -5.532645369e+00 2.50 -4.812261913e+00 -5.795617100e+00 -5.643970666e+00 2.52 -4.622509267e+00 -5.844619861e+00 -5.723483950e+00 2.54 -4.419186978e+00 -5.866898528e+00 -5.773175033e+00 2.56 -4.204172063e+00 -5.860977966e+00 -5.796395952e+00 2.58 -3.978687513e+00 -5.825831279e+00 -5.796842780e+00 2.60 -3.743536108e+00 -5.761247158e+00 -5.777607678e+00 2.62 -3.499305698e+00 -5.667937102e+00 -5.740881135e+00 2.64 -3.246467468e+00 -5.547365473e+00 -5.688096492e+00 2.66 -2.985385499e+00 -5.401526395e+00 -5.620251397e+00 2.68 -2.716308441e+00 -5.232654240e+00 -5.538220829e+00 2.70 -2.439309325e+00 -5.042918440e+00 -5.442905007e+00 2.72 -2.154182713e+00 -4.834192361e+00 -5.335199316e+00 2.74 -1.860214435e+00 -4.608025265e+00 -5.215878288e+00 2.76 -1.555644624e+00 -4.365729325e+00 -5.085481939e+00 2.78 -1.235423370e+00 -4.108498136e+00 -4.944309043e+00 2.80 -8.732008929e-01 -3.837477170e+00 -4.792496369e+00 2.82 -6.395183883e-01 -3.553792407e+00 -4.630103081e+00 2.84 -4.872656890e-01 -3.258529246e+00 -4.457186026e+00 2.86 -3.404907189e-01 -2.952620406e+00 -4.273817751e+00 2.88 -2.025529687e-01 -2.636569304e+00 -4.080090137e+00 2.90 -1.118696742e-01 -2.309861687e+00 -3.876118597e+00 2.92 -1.666283892e-01 -1.969609887e+00 -3.662083119e+00 2.94 -2.143500755e-01 -1.605770045e+00 -3.438353914e+00 2.96 -2.558744397e-01 -1.157661069e+00 -3.205600789e+00 2.98 -2.923151302e-01 -1.043348832e+00 -2.964833924e+00 3.00 -3.247402418e-01 -9.361460557e-01 -2.717301302e+00 3.02 -3.539803966e-01 -8.336823282e-01 -2.464261495e+00 3.04 -3.805833633e-01 -7.363427211e-01 -2.206740131e+00 3.06 -4.048544556e-01 -6.444298728e-01 -1.945360562e+00 3.08 -4.269360249e-01 -5.581262454e-01 -1.680245649e+00 3.10 -4.469156519e-01 -4.777275713e-01 -1.410862935e+00 3.12 -4.648725425e-01 -4.031118071e-01 -1.135647587e+00 3.14 -4.808802418e-01 -3.349627720e-01 -8.508654186e-01 3.16 -4.950087408e-01 -2.752269178e-01 -5.471667865e-01 3.18 -5.073253402e-01 -2.439771792e-01 -2.338074683e-01 3.20 -5.178968482e-01 -2.473814148e-01 -1.438280911e-01 3.22 -5.267906727e-01 -2.533694739e-01 -6.343039193e-02 3.24 -5.340760138e-01 -2.892156988e-01 2.130514519e-03 3.26 -5.398256607e-01 -3.358848791e-01 -1.636702371e-02 3.28 -5.441165074e-01 -3.800619103e-01 -6.193654951e-02 3.30 -5.470296702e-01 -4.216597802e-01 -1.050863357e-01 3.32 -5.486501763e-01 -4.605868333e-01 -1.459166205e-01 3.34 -5.490651416e-01 -4.967820306e-01 -1.845222162e-01 3.36 -5.483629212e-01 -5.302193704e-01 -2.209905479e-01 3.38 -5.466318467e-01 -5.608651437e-01 -2.554008095e-01 3.40 -5.439607581e-01 -5.886060710e-01 -2.878257517e-01 3.42 -5.404388632e-01 -6.131941094e-01 -3.183342505e-01 3.44 -5.361564573e-01 -6.342586373e-01 -3.469945158e-01 3.46 -5.312037462e-01 -6.514026521e-01 -3.738767998e-01 3.48 -5.364713350e-01 -6.643518718e-01 -3.990555827e-01 3.50 -6.063081575e-01 -6.730848636e-01 -4.226102124e-01 3.52 -6.767509138e-01 -6.778777522e-01 -4.446263152e-01 3.54 -7.477034486e-01 -6.792493015e-01 -4.651953601e-01 3.56 -8.167475707e-01 -6.778371174e-01 -4.844151041e-01 3.58 -8.826699495e-01 -6.742647243e-01 -5.023889547e-01 3.60 -9.453618401e-01 -6.690526872e-01 -5.192233185e-01 3.62 -1.004611729e+00 -6.625840815e-01 -5.350247764e-01 3.64 -1.060144560e+00 -6.551089807e-01 -5.498928919e-01 3.66 -1.111830175e+00 -6.467693021e-01 -5.639112850e-01 3.68 -1.159674670e+00 -6.376318149e-01 -5.771324301e-01 3.70 -1.203745842e+00 -6.277384755e-01 -5.895589806e-01 3.72 -1.244135540e+00 -6.171290461e-01 -6.011217966e-01 3.74 -1.382913741e+00 -6.058421961e-01 -6.116569387e-01 3.76 -1.511078067e+00 -5.939160867e-01 -6.208937720e-01 3.78 -1.613427357e+00 -5.813885534e-01 -6.284618321e-01 3.80 -1.704537772e+00 -5.682969986e-01 -6.339299093e-01 3.82 -1.788190514e+00 -5.982872349e-01 -6.368791897e-01 3.84 -1.863742925e+00 -6.293610050e-01 -6.369969448e-01 3.86 -1.932458051e+00 -6.617142881e-01 -6.341586328e-01 3.88 -1.995227032e+00 -6.944462031e-01 -6.284655113e-01 3.90 -2.052205897e+00 -7.264521358e-01 -6.202218828e-01 3.92 -2.103499105e+00 -7.574520938e-01 -6.098637156e-01 3.94 -2.149195771e+00 -8.388194153e-01 -5.978708600e-01 3.96 -2.189318633e+00 -9.596595417e-01 -5.846918593e-01 3.98 -2.223901531e+00 -1.059403848e+00 -5.706981417e-01 4.00 -2.253021378e+00 -1.143020304e+00 -5.561673655e-01 4.02 -2.276800420e+00 -1.219653415e+00 -5.412878018e-01 4.04 -2.295392139e+00 -1.291489830e+00 -5.261721729e-01 4.06 -2.308979775e+00 -1.358229825e+00 -5.578770529e-01 4.08 -2.317756783e+00 -1.420506806e+00 -5.910798076e-01 4.10 -2.321917804e+00 -1.493848524e+00 -6.258270786e-01 4.12 -2.321654915e+00 -1.565744618e+00 -6.622690101e-01 4.14 -2.317161818e+00 -1.634561303e+00 -6.997736445e-01 4.16 -2.308631743e+00 -1.700233459e+00 -7.375570274e-01 4.18 -2.296260026e+00 -1.762451596e+00 -8.270831571e-01 4.20 -2.280243977e+00 -1.820862297e+00 -9.726092759e-01 4.22 -2.260781429e+00 -1.875221659e+00 -1.093031318e+00 4.24 -2.238071836e+00 -1.925468793e+00 -1.199623422e+00 4.26 -2.212317172e+00 -1.971611552e+00 -1.301317414e+00 4.28 -2.183719038e+00 -2.013699105e+00 -1.396736735e+00 4.30 -2.152479675e+00 -2.051798976e+00 -1.486457283e+00 4.32 -2.118802853e+00 -2.085999787e+00 -1.571439835e+00 4.34 -2.082889724e+00 -2.116395582e+00 -1.651825287e+00 4.36 -2.044940044e+00 -2.143086819e+00 -1.727729059e+00 4.38 -2.005153451e+00 -2.166174315e+00 -1.799302411e+00 4.40 -1.963726005e+00 -2.185759382e+00 -1.866620085e+00 4.42 -1.920848822e+00 -2.201944153e+00 -1.929722731e+00 4.44 -1.876710542e+00 -2.214829417e+00 -1.988637747e+00 4.46 -1.831494347e+00 -2.224517734e+00 -2.043385094e+00 4.48 -1.785377618e+00 -2.231113376e+00 -2.093981596e+00 4.50 -1.738529812e+00 -2.234720284e+00 -2.140438672e+00 4.52 -1.691115542e+00 -2.235444427e+00 -2.182774651e+00 4.54 -1.643291996e+00 -2.233393264e+00 -2.221019706e+00 4.56 -1.595206450e+00 -2.228673166e+00 -2.255214884e+00 4.58 -1.546998446e+00 -2.221392970e+00 -2.285423266e+00 4.60 -1.498798282e+00 -2.211659288e+00 -2.311727268e+00 4.62 -1.450725954e+00 -2.199580694e+00 -2.334237533e+00 4.64 -1.402891980e+00 -2.185265153e+00 -2.353088163e+00 4.66 -1.355397798e+00 -2.168819647e+00 -2.368429680e+00 4.68 -1.308334676e+00 -2.150351256e+00 -2.380422046e+00 4.70 -1.261786691e+00 -2.129965064e+00 -2.389218575e+00 4.72 -1.215829825e+00 -2.107766081e+00 -2.394954201e+00 4.74 -1.170532247e+00 -2.083855881e+00 -2.397734089e+00 4.76 -1.125956158e+00 -2.058335860e+00 -2.397631402e+00 4.78 -1.082153708e+00 -2.031305911e+00 -2.394689270e+00 4.80 -1.039170473e+00 -2.002861094e+00 -2.388926800e+00 4.82 -9.970426164e-01 -1.973096416e+00 -2.380353176e+00 4.84 -9.557999831e-01 -1.942103126e+00 -2.368975691e+00 4.86 -9.154703562e-01 -1.909970107e+00 -2.354810570e+00 4.88 -8.760722333e-01 -1.876783115e+00 -2.337884431e+00 4.90 -8.376230026e-01 -1.842625625e+00 -2.318240062e+00 4.92 -8.001354934e-01 -1.807577309e+00 -2.295936161e+00 4.94 -7.636133800e-01 -1.771715504e+00 -2.271045642e+00 4.96 -7.280541064e-01 -1.735113430e+00 -2.243652355e+00 4.98 -6.934602094e-01 -1.697842353e+00 -2.213851466e+00 5.00 -6.598483574e-01 -1.659971467e+00 -2.181743414e+00 5.02 -6.272417208e-01 -1.621566106e+00 -2.147429832e+00 5.04 -5.956654066e-01 -1.582690207e+00 -2.111015714e+00 5.06 -5.651086289e-01 -1.543404676e+00 -2.072608871e+00 5.08 -5.355131815e-01 -1.503768970e+00 -2.032321476e+00 5.10 -5.068163877e-01 -1.463840428e+00 -1.990267017e+00 5.12 -4.789872189e-01 -1.423673945e+00 -1.946561887e+00 5.14 -4.520451288e-01 -1.383323006e+00 -1.901326000e+00 5.16 -4.261208906e-01 -1.342839367e+00 -1.854680258e+00 5.18 -4.013286192e-01 -1.302273231e+00 -1.806748332e+00 5.20 -3.777478753e-01 -1.261673518e+00 -1.757656478e+00 5.22 -3.554675400e-01 -1.221090281e+00 -1.707531808e+00 5.24 -3.343029151e-01 -1.180572809e+00 -1.656501881e+00 5.26 -3.140446794e-01 -1.140171355e+00 -1.604697358e+00 5.28 -2.944760204e-01 -1.099937265e+00 -1.552248038e+00 5.30 -2.754763948e-01 -1.059919807e+00 -1.499283076e+00 5.32 -2.569526102e-01 -1.020168676e+00 -1.445934622e+00 5.34 -2.389000894e-01 -9.807257003e-01 -1.392332233e+00 5.36 -2.214188196e-01 -9.416344787e-01 -1.338605949e+00 5.38 -2.045932050e-01 -9.029342060e-01 -1.284882584e+00 5.40 -1.885272520e-01 -8.646625939e-01 -1.231286746e+00 5.42 -1.733577248e-01 -8.268637734e-01 -1.177941205e+00 5.44 -1.591747775e-01 -7.895822231e-01 -1.124964894e+00 5.46 -1.459994019e-01 -7.528651980e-01 -1.072474226e+00 5.48 -1.338380927e-01 -7.167589313e-01 -1.020582054e+00 5.50 -1.226961233e-01 -6.812938347e-01 -9.693959587e-01 5.52 -1.125533747e-01 -6.464999426e-01 -9.190189058e-01 5.54 -1.033706037e-01 -6.123854717e-01 -8.695466352e-01 5.56 -9.506960116e-02 -5.789632957e-01 -8.210746513e-01 5.58 -8.757323405e-02 -5.462507791e-01 -7.736990213e-01 5.60 -8.083400213e-02 -5.142758085e-01 -7.275147123e-01 5.62 -7.479693016e-02 -4.830866460e-01 -6.826125164e-01 5.64 -6.940254427e-02 -4.527754625e-01 -6.390613314e-01 5.66 -6.458906236e-02 -4.234228695e-01 -5.968966965e-01 5.68 -6.029371128e-02 -3.951007830e-01 -5.561157475e-01 5.70 -5.645412754e-02 -3.678669338e-01 -5.167178515e-01 5.72 -5.300913421e-02 -3.418052753e-01 -4.787116003e-01 5.74 -4.989739855e-02 -3.168751533e-01 -4.421258829e-01 5.76 -4.705952370e-02 -2.929958594e-01 -4.070919060e-01 5.78 -4.443915071e-02 -2.701205619e-01 -3.737316650e-01 5.80 -4.198418767e-02 -2.481749971e-01 -3.421372672e-01 5.82 -3.964789525e-02 -2.271260574e-01 -3.123976357e-01 5.84 -3.739301455e-02 -2.069473032e-01 -2.845415876e-01 5.86 -3.518867019e-02 -1.876039420e-01 -2.583964103e-01 5.88 -3.301079646e-02 -1.691136548e-01 -2.338137824e-01 5.90 -3.084519520e-02 -1.515161611e-01 -2.106187214e-01 5.92 -2.868789484e-02 -1.348394802e-01 -1.886952076e-01 5.94 -2.654426513e-02 -1.191062951e-01 -1.679455764e-01 5.96 -2.443023652e-02 -1.043624231e-01 -1.482975574e-01 5.98 -2.236900874e-02 -9.065207304e-02 -1.297774185e-01 6.00 -2.037888663e-02 -7.799811362e-02 -1.124146279e-01