# 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 = AlPd3 # 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 2.212571922e+03 nan nan 1.18 1.876413419e+03 nan nan 1.20 1.595115116e+03 nan nan 1.22 1.359047330e+03 nan nan 1.24 1.160386279e+03 nan nan 1.26 9.927553340e+02 2.064994082e+03 nan 1.28 8.509431618e+02 1.773910572e+03 nan 1.30 7.306868493e+02 1.526894908e+03 1.960261973e+03 1.32 6.285154142e+02 1.316763082e+03 1.691442606e+03 1.34 5.414790032e+02 1.137585349e+03 1.462184295e+03 1.36 4.671715386e+02 9.844528280e+02 1.266216036e+03 1.38 4.035340738e+02 8.532918948e+02 1.098333465e+03 1.40 3.489635285e+02 7.407141723e+02 9.542050460e+02 1.42 3.021125092e+02 6.438973400e+02 8.302157231e+02 1.44 2.618198828e+02 5.605006210e+02 7.233417975e+02 1.46 2.271090606e+02 4.885005458e+02 6.310468004e+02 1.48 1.971577506e+02 4.262321450e+02 5.512178249e+02 1.50 1.712737156e+02 3.722444021e+02 4.820574488e+02 1.52 1.488717251e+02 3.253703302e+02 4.220251342e+02 1.54 1.294568191e+02 2.846516909e+02 3.697683933e+02 1.56 1.126116483e+02 2.492266936e+02 3.242609285e+02 1.58 9.798228830e+01 2.183652067e+02 2.845941760e+02 1.60 8.526432080e+01 1.914459719e+02 2.499707561e+02 1.62 7.419468002e+01 1.679350033e+02 2.197090620e+02 1.64 6.454852092e+01 1.473719936e+02 1.932246882e+02 1.66 5.613481983e+01 1.293635247e+02 1.700171912e+02 1.68 4.878847919e+01 1.135751562e+02 1.496585280e+02 1.70 4.236452722e+01 9.972172287e+01 1.317808402e+02 1.72 3.673823531e+01 8.755811862e+01 1.160652436e+02 1.74 3.180580764e+01 7.687082117e+01 1.022346519e+02 1.76 2.748044497e+01 6.747211282e+01 9.005075755e+01 1.78 2.368616567e+01 5.919807929e+01 7.931044446e+01 1.80 2.035322010e+01 5.190716898e+01 6.983966879e+01 1.82 1.741709765e+01 4.547676669e+01 6.148615650e+01 1.84 1.482118097e+01 3.980053061e+01 5.411306569e+01 1.86 1.251956410e+01 3.478782154e+01 4.759666739e+01 1.88 1.047606956e+01 3.036206732e+01 4.182849172e+01 1.90 8.660507114e+00 2.645624302e+01 3.671620881e+01 1.92 7.045486526e+00 2.300781244e+01 3.218046040e+01 1.94 5.605532940e+00 1.995669965e+01 2.815200252e+01 1.96 4.317649602e+00 1.724786273e+01 2.457101904e+01 1.98 3.162013347e+00 1.483515135e+01 2.138609036e+01 2.00 2.122828948e+00 1.268175046e+01 1.855178629e+01 2.02 1.188199965e+00 1.075696537e+01 1.602708442e+01 2.04 3.489138921e-01 9.033216379e+00 1.377560692e+01 2.06 -4.027022543e-01 7.485721956e+00 1.176579498e+01 2.08 -1.073402684e+00 6.093496571e+00 9.969620448e+00 2.10 -1.669393244e+00 4.839584474e+00 8.361235660e+00 2.12 -2.196977404e+00 3.710102454e+00 6.917415464e+00 2.14 -2.663561448e+00 2.693221502e+00 5.619046343e+00 2.16 -3.077692064e+00 1.778378715e+00 4.451293626e+00 2.18 -3.447542442e+00 9.555323434e-01 3.401574137e+00 2.20 -3.779076906e+00 2.144861624e-01 2.457212960e+00 2.22 -4.075608782e+00 -4.550592044e-01 1.604798010e+00 2.24 -4.338508147e+00 -1.062172985e+00 8.316830110e-01 2.26 -4.567992976e+00 -1.613271968e+00 1.280854848e-01 2.28 -4.763925502e+00 -2.112272595e+00 -5.126245235e-01 2.30 -4.926623899e+00 -2.562226181e+00 -1.095251337e+00 2.32 -5.057318301e+00 -2.967022722e+00 -1.624134978e+00 2.34 -5.158467569e+00 -3.332037908e+00 -2.103714247e+00 2.36 -5.233442423e+00 -3.663261137e+00 -2.538270383e+00 2.38 -5.285648537e+00 -3.965373518e+00 -2.931208400e+00 2.40 -5.318136569e+00 -4.240528554e+00 -3.284719489e+00 2.42 -5.333887005e+00 -4.488671441e+00 -3.600023049e+00 2.44 -5.335924036e+00 -4.708724172e+00 -3.878045876e+00 2.46 -5.326767080e+00 -4.899586930e+00 -4.120373095e+00 2.48 -5.307858958e+00 -5.060588649e+00 -4.330212120e+00 2.50 -5.279640673e+00 -5.191585237e+00 -4.512788837e+00 2.52 -5.242014364e+00 -5.292921118e+00 -4.674447344e+00 2.54 -5.194919136e+00 -5.365746897e+00 -4.820658745e+00 2.56 -5.138695477e+00 -5.412415122e+00 -4.954317802e+00 2.58 -5.074103140e+00 -5.436431975e+00 -5.075611535e+00 2.60 -5.002008877e+00 -5.441898567e+00 -5.183232793e+00 2.62 -4.923206181e+00 -5.432848849e+00 -5.275762543e+00 2.64 -4.838404533e+00 -5.412832704e+00 -5.352495579e+00 2.66 -4.748224756e+00 -5.384599942e+00 -5.413707536e+00 2.68 -4.653190731e+00 -5.349761791e+00 -5.460470757e+00 2.70 -4.553730005e+00 -5.308738421e+00 -5.494253460e+00 2.72 -4.450196912e+00 -5.261200521e+00 -5.516624902e+00 2.74 -4.342936583e+00 -5.206674756e+00 -5.528854267e+00 2.76 -4.232405747e+00 -5.144892801e+00 -5.531578841e+00 2.78 -4.119341334e+00 -5.076020450e+00 -5.524762490e+00 2.80 -4.004909788e+00 -5.000741338e+00 -5.507919192e+00 2.82 -3.890707943e+00 -4.920149541e+00 -5.480403450e+00 2.84 -3.778517842e+00 -4.835651159e+00 -5.441623698e+00 2.86 -3.669913664e+00 -4.748947885e+00 -5.391176484e+00 2.88 -3.566023412e+00 -4.661870839e+00 -5.328969479e+00 2.90 -3.467663887e+00 -4.576064348e+00 -5.255362178e+00 2.92 -3.375721101e+00 -4.492681903e+00 -5.171415177e+00 2.94 -3.291436948e+00 -4.412281196e+00 -5.079135813e+00 2.96 -3.216371824e+00 -4.334953658e+00 -4.981433825e+00 2.98 -3.152048435e+00 -4.260561208e+00 -4.881616804e+00 3.00 -3.099470315e+00 -4.188934629e+00 -4.782556580e+00 3.02 -3.058751837e+00 -4.119973406e+00 -4.685976621e+00 3.04 -3.029098224e+00 -4.053661575e+00 -4.592272398e+00 3.06 -3.009180276e+00 -3.990019299e+00 -4.500872385e+00 3.08 -2.997553262e+00 -3.929007898e+00 -4.410809457e+00 3.10 -2.992880786e+00 -3.870498301e+00 -4.321180116e+00 3.12 -2.994009200e+00 -3.814269108e+00 -4.231374449e+00 3.14 -2.999953635e+00 -3.760006844e+00 -4.141119817e+00 3.16 -3.009807513e+00 -3.707310496e+00 -4.050380525e+00 3.18 -3.022617857e+00 -3.655704713e+00 -3.959163506e+00 3.20 -3.037387116e+00 -3.604667725e+00 -3.867509426e+00 3.22 -3.053144131e+00 -3.553680204e+00 -3.775588850e+00 3.24 -3.069037779e+00 -3.502296791e+00 -3.683837081e+00 3.26 -3.084432230e+00 -3.450229511e+00 -3.593102428e+00 3.28 -3.098965384e+00 -3.397412421e+00 -3.504744998e+00 3.30 -3.112522173e+00 -3.344002149e+00 -3.420591574e+00 3.32 -3.125095627e+00 -3.290285171e+00 -3.342673984e+00 3.34 -3.136567961e+00 -3.236525841e+00 -3.272786254e+00 3.36 -3.146512122e+00 -3.182866543e+00 -3.212037797e+00 3.38 -3.154124171e+00 -3.129404199e+00 -3.160623502e+00 3.40 -3.158327267e+00 -3.076470880e+00 -3.117907644e+00 3.42 -3.157999271e+00 -3.024994367e+00 -3.082731012e+00 3.44 -3.152240372e+00 -2.976712880e+00 -3.053761070e+00 3.46 -3.140618937e+00 -2.934039183e+00 -3.029750269e+00 3.48 -3.123361954e+00 -2.899528788e+00 -3.009663518e+00 3.50 -3.101453958e+00 -2.875146596e+00 -2.992701280e+00 3.52 -3.076582521e+00 -2.861684691e+00 -2.978255757e+00 3.54 -3.050849960e+00 -2.858588010e+00 -2.965785419e+00 3.56 -3.026312656e+00 -2.864251442e+00 -2.954722098e+00 3.58 -3.004504409e+00 -2.876580918e+00 -2.944463810e+00 3.60 -2.986111474e+00 -2.893504286e+00 -2.934376014e+00 3.62 -2.970942370e+00 -2.913284062e+00 -2.923795925e+00 3.64 -2.958173657e+00 -2.934629349e+00 -2.912043605e+00 3.66 -2.946715375e+00 -2.956672800e+00 -2.898445573e+00 3.68 -2.935524906e+00 -2.978862118e+00 -2.882378454e+00 3.70 -2.923781210e+00 -3.000755861e+00 -2.863340991e+00 3.72 -2.910927424e+00 -3.021926024e+00 -2.841060167e+00 3.74 -2.896639585e+00 -3.041953691e+00 -2.815627659e+00 3.76 -2.880771165e+00 -3.060428114e+00 -2.787643922e+00 3.78 -2.863245889e+00 -3.076945667e+00 -2.758319863e+00 3.80 -2.843981317e+00 -3.091109053e+00 -2.729463727e+00 3.82 -2.822906855e+00 -3.102527437e+00 -2.703287582e+00 3.84 -2.799980950e+00 -3.110818588e+00 -2.682027579e+00 3.86 -2.775196561e+00 -3.115614616e+00 -2.667473189e+00 3.88 -2.748578895e+00 -3.116573297e+00 -2.660580224e+00 3.90 -2.720179166e+00 -3.113397743e+00 -2.661325561e+00 3.92 -2.690063645e+00 -3.105866965e+00 -2.668843386e+00 3.94 -2.658304459e+00 -3.093878960e+00 -2.681748224e+00 3.96 -2.624978194e+00 -3.077504693e+00 -2.698493471e+00 3.98 -2.590165513e+00 -3.057045223e+00 -2.717649311e+00 4.00 -2.553950806e+00 -3.033075479e+00 -2.738057909e+00 4.02 -2.516421828e+00 -3.006450083e+00 -2.758881134e+00 4.04 -2.477669387e+00 -2.978245991e+00 -2.779578522e+00 4.06 -2.437786964e+00 -2.949631367e+00 -2.799846099e+00 4.08 -2.396870237e+00 -2.921680594e+00 -2.819493935e+00 4.10 -2.355016532e+00 -2.895188029e+00 -2.838348761e+00 4.12 -2.312324450e+00 -2.870544769e+00 -2.856244260e+00 4.14 -2.268893476e+00 -2.847719552e+00 -2.873020953e+00 4.16 -2.224823608e+00 -2.826339653e+00 -2.888526042e+00 4.18 -2.180214961e+00 -2.805829590e+00 -2.902613189e+00 4.20 -2.135167400e+00 -2.785555204e+00 -2.915142242e+00 4.22 -2.089780172e+00 -2.764935780e+00 -2.925978899e+00 4.24 -2.044151486e+00 -2.743510607e+00 -2.934994334e+00 4.26 -1.998378171e+00 -2.720964518e+00 -2.942064776e+00 4.28 -1.952555258e+00 -2.697124819e+00 -2.947071007e+00 4.30 -1.906775669e+00 -2.671941327e+00 -2.949897867e+00 4.32 -1.861129757e+00 -2.645438989e+00 -2.950433664e+00 4.34 -1.815705027e+00 -2.617657472e+00 -2.948569630e+00 4.36 -1.770585700e+00 -2.588639203e+00 -2.944199373e+00 4.38 -1.725852437e+00 -2.558429149e+00 -2.937218467e+00 4.40 -1.681581921e+00 -2.527074620e+00 -2.927524256e+00 4.42 -1.637846627e+00 -2.494625101e+00 -2.915016082e+00 4.44 -1.594714411e+00 -2.461132072e+00 -2.899596235e+00 4.46 -1.552248370e+00 -2.426648819e+00 -2.881171935e+00 4.48 -1.510506423e+00 -2.391230285e+00 -2.859658906e+00 4.50 -1.469541258e+00 -2.354932862e+00 -2.834987090e+00 4.52 -1.429400057e+00 -2.317814267e+00 -2.807109073e+00 4.54 -1.390124477e+00 -2.279933336e+00 -2.776011636e+00 4.56 -1.351750387e+00 -2.241349872e+00 -2.741730264e+00 4.58 -1.314308372e+00 -2.202124522e+00 -2.704365542e+00 4.60 -1.277823195e+00 -2.162318577e+00 -2.664098823e+00 4.62 -1.242314733e+00 -2.121993847e+00 -2.621202854e+00 4.64 -1.207797965e+00 -2.081212511e+00 -2.576041842e+00 4.66 -1.174283718e+00 -2.040037006e+00 -2.529055753e+00 4.68 -1.141779119e+00 -1.998529865e+00 -2.480726607e+00 4.70 -1.110289798e+00 -1.956753595e+00 -2.431530085e+00 4.72 -1.079819985e+00 -1.914770554e+00 -2.381882155e+00 4.74 -1.050375112e+00 -1.872642867e+00 -2.332094024e+00 4.76 -1.021965193e+00 -1.830432268e+00 -2.282347492e+00 4.78 -9.946049029e-01 -1.788199993e+00 -2.232695847e+00 4.80 -9.683220835e-01 -1.746006750e+00 -2.183087304e+00 4.82 -9.431580899e-01 -1.703912460e+00 -2.133401768e+00 4.84 -9.191767721e-01 -1.661976335e+00 -2.083490068e+00 4.86 -8.964592220e-01 -1.620256648e+00 -2.033207488e+00 4.88 -8.751269362e-01 -1.578810624e+00 -1.982437446e+00 4.90 -8.553153168e-01 -1.537694381e+00 -1.931104861e+00 4.92 -8.371792407e-01 -1.496962808e+00 -1.879181008e+00 4.94 -8.208817625e-01 -1.456669354e+00 -1.826682451e+00 4.96 -8.064914883e-01 -1.416865988e+00 -1.773666255e+00 4.98 -7.940574441e-01 -1.377603054e+00 -1.720217898e+00 5.00 -7.834659729e-01 -1.338928880e+00 -1.666430211e+00 5.02 -7.744833640e-01 -1.300889950e+00 -1.612397132e+00 5.04 -7.667697943e-01 -1.263530283e+00 -1.558213625e+00 5.06 -7.598791188e-01 -1.226891590e+00 -1.503975441e+00 5.08 -7.534091502e-01 -1.191012739e+00 -1.449779122e+00 5.10 -7.469170073e-01 -1.155929588e+00 -1.395721826e+00 5.12 -7.399944394e-01 -1.121674622e+00 -1.341901260e+00 5.14 -7.322766459e-01 -1.088276647e+00 -1.288415703e+00 5.16 -7.234360009e-01 -1.055760309e+00 -1.235364107e+00 5.18 -7.131824523e-01 -1.024145723e+00 -1.182846170e+00 5.20 -7.012622073e-01 -9.934485349e-01 -1.130961824e+00 5.22 -6.874607297e-01 -9.636782081e-01 -1.079812800e+00 5.24 -6.716191812e-01 -9.348390457e-01 -1.029501711e+00 5.26 -6.536396040e-01 -9.069289661e-01 -9.801330409e-01 5.28 -6.335037006e-01 -8.799386195e-01 -9.318141041e-01 5.30 -6.112910010e-01 -8.538516419e-01 -8.846547371e-01 5.32 -5.871984706e-01 -8.286440205e-01 -8.387711303e-01 5.34 -5.615500071e-01 -8.042835571e-01 -7.942825031e-01 5.36 -5.348043171e-01 -7.807293547e-01 -7.513187332e-01 5.38 -5.075391266e-01 -7.579314711e-01 -7.100163606e-01 5.40 -4.804228099e-01 -7.358327218e-01 -6.705280828e-01 5.42 -4.541674872e-01 -7.143665849e-01 -6.330189424e-01 5.44 -4.294669819e-01 -6.934574978e-01 -5.976730571e-01 5.46 -4.069324391e-01 -6.730243092e-01 -5.646844444e-01 5.48 -3.870394556e-01 -6.529787813e-01 -5.342611204e-01 5.50 -3.700708635e-01 -6.332339713e-01 -5.066254329e-01 5.52 -3.561331160e-01 -6.137015621e-01 -4.820028908e-01 5.54 -3.451404515e-01 -5.942957824e-01 -4.605279322e-01 5.56 -3.368235709e-01 -5.749483775e-01 -4.423579079e-01 5.58 -3.308377776e-01 -5.556133479e-01 -4.275277957e-01 5.60 -3.267056605e-01 -5.362761295e-01 -4.159873153e-01 5.62 -3.239945373e-01 -5.169734560e-01 -4.076093578e-01 5.64 -3.222407456e-01 -4.978081619e-01 -4.021857555e-01 5.66 -3.210296367e-01 -4.789633780e-01 -3.994743391e-01 5.68 -3.200170165e-01 -4.607079541e-01 -3.992327941e-01 5.70 -3.189351676e-01 -4.433982351e-01 -4.012051654e-01 5.72 -3.175868707e-01 -4.274672889e-01 -4.051372674e-01 5.74 -3.158301959e-01 -4.133700419e-01 -4.108159269e-01 5.76 -3.135415326e-01 -4.015627409e-01 -4.180316184e-01 5.78 -3.105982307e-01 -3.924185430e-01 -4.265917648e-01 5.80 -3.068842942e-01 -3.861859435e-01 -4.363180461e-01 5.82 -3.022956779e-01 -3.829500113e-01 -4.470417045e-01 5.84 -2.967487712e-01 -3.826206352e-01 -4.586094526e-01 5.86 -2.901890032e-01 -3.849505547e-01 -4.708728423e-01 5.88 -2.825696138e-01 -3.895862110e-01 -4.836891168e-01 5.90 -2.739501706e-01 -3.961070153e-01 -4.969252965e-01 5.92 -2.643975150e-01 -4.040823676e-01 -5.104531529e-01 5.94 -2.540295820e-01 -4.130979110e-01 -5.241486762e-01 5.96 -2.430003055e-01 -4.227824441e-01 -5.378941643e-01 5.98 -2.314794542e-01 -4.328218339e-01 -5.515757395e-01 6.00 -2.197200402e-01 -4.429571586e-01 -5.650818681e-01