# 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 = MnPd3 # 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 2.004353620e+03 nan nan 1.18 1.705125816e+03 nan nan 1.20 1.454519816e+03 nan nan 1.22 1.244010505e+03 nan nan 1.24 1.066661501e+03 nan nan 1.26 9.168155913e+02 1.847771649e+03 nan 1.28 7.896142793e+02 1.592224886e+03 nan 1.30 6.809158489e+02 1.375203670e+03 1.757198668e+03 1.32 5.883968766e+02 1.190406861e+03 1.520915505e+03 1.34 5.094958009e+02 1.032660995e+03 1.319247881e+03 1.36 4.420489706e+02 8.976800331e+02 1.146707965e+03 1.38 3.842312548e+02 7.818940792e+02 9.987333496e+02 1.40 3.345370283e+02 6.820919828e+02 8.715335959e+02 1.42 2.917214555e+02 5.956321332e+02 7.619477437e+02 1.44 2.547435314e+02 5.210157559e+02 6.673310231e+02 1.46 2.226603089e+02 4.564559036e+02 5.852294557e+02 1.48 1.948604897e+02 4.004774579e+02 5.136549442e+02 1.50 1.707271479e+02 3.518700495e+02 4.514839748e+02 1.52 1.497481826e+02 3.096067222e+02 3.973878423e+02 1.54 1.314875866e+02 2.727847683e+02 3.502557290e+02 1.56 1.155646700e+02 2.405995929e+02 3.091242901e+02 1.58 1.016564784e+02 2.124326582e+02 2.731529419e+02 1.60 8.949631375e+01 1.877175231e+02 2.416345369e+02 1.62 7.885591921e+01 1.660594525e+02 2.139279292e+02 1.64 6.952996052e+01 1.470602354e+02 1.895794409e+02 1.66 6.133782879e+01 1.303561406e+02 1.681649595e+02 1.68 5.412798664e+01 1.156348056e+02 1.492957531e+02 1.70 4.777409116e+01 1.026376019e+02 1.326478415e+02 1.72 4.216754164e+01 9.115139952e+01 1.179492758e+02 1.74 3.721233251e+01 8.099643199e+01 1.049602317e+02 1.76 3.282462417e+01 7.201445470e+01 9.346348428e+01 1.78 2.893283940e+01 6.406098723e+01 8.326875659e+01 1.80 2.547548600e+01 5.700497123e+01 7.421719515e+01 1.82 2.239849689e+01 5.073162184e+01 6.617843591e+01 1.84 1.965365125e+01 4.514351005e+01 5.904156453e+01 1.86 1.719834074e+01 4.015977948e+01 5.270404844e+01 1.88 1.499599497e+01 3.571405686e+01 4.706695696e+01 1.90 1.301592511e+01 3.175099896e+01 4.203889628e+01 1.92 1.123191695e+01 2.822158748e+01 3.754092056e+01 1.94 9.621164303e+00 2.507818993e+01 3.350735942e+01 1.96 8.164057957e+00 2.227261573e+01 2.988437415e+01 1.98 6.843821966e+00 1.975865636e+01 2.662737409e+01 2.00 5.645905758e+00 1.749599263e+01 2.369776223e+01 2.02 4.557375401e+00 1.545137856e+01 2.106027690e+01 2.04 3.567071290e+00 1.359722999e+01 1.868206691e+01 2.06 2.666063978e+00 1.191037904e+01 1.653323996e+01 2.08 1.847460552e+00 1.037176941e+01 1.458700951e+01 2.10 1.105652988e+00 8.966082289e+00 1.281917613e+01 2.12 4.352459643e-01 7.680832610e+00 1.120843217e+01 2.14 -1.701271507e-01 6.505524399e+00 9.737502404e+00 2.16 -7.179224698e-01 5.431066201e+00 8.393391551e+00 2.18 -1.215331270e+00 4.449217793e+00 7.165865583e+00 2.20 -1.667644449e+00 3.551833346e+00 6.045257298e+00 2.22 -2.077869443e+00 2.730295759e+00 5.021056036e+00 2.24 -2.447237447e+00 1.976063894e+00 4.082181308e+00 2.26 -2.775702883e+00 1.282047250e+00 3.218676555e+00 2.28 -3.062622361e+00 6.432791522e-01 2.422875898e+00 2.30 -3.307664525e+00 5.610091696e-02 1.689199538e+00 2.32 -3.511441030e+00 -4.833296778e-01 1.013242572e+00 2.34 -3.675988122e+00 -9.799119318e-01 3.910571178e-01 2.36 -3.804517075e+00 -1.439018370e+00 -1.809283940e-01 2.38 -3.900476982e+00 -1.864706959e+00 -7.054403322e-01 2.40 -3.967058277e+00 -2.258477882e+00 -1.184053384e+00 2.42 -4.007400486e+00 -2.619556358e+00 -1.617360836e+00 2.44 -4.024683293e+00 -2.946085232e+00 -2.005534092e+00 2.46 -4.021656018e+00 -3.236155994e+00 -2.349148861e+00 2.48 -4.000274862e+00 -3.488273071e+00 -2.650169850e+00 2.50 -3.961930086e+00 -3.701429187e+00 -2.912707975e+00 2.52 -3.907739083e+00 -3.875017257e+00 -3.142759256e+00 2.54 -3.838765533e+00 -4.009147563e+00 -3.346627294e+00 2.56 -3.756154262e+00 -4.105176119e+00 -3.528931394e+00 2.58 -3.661140487e+00 -4.165917756e+00 -3.691697761e+00 2.60 -3.554805522e+00 -4.195324613e+00 -3.834956824e+00 2.62 -3.437989280e+00 -4.197868744e+00 -3.957989923e+00 2.64 -3.311346764e+00 -4.177992199e+00 -4.060348517e+00 2.66 -3.175354828e+00 -4.139588606e+00 -4.142383447e+00 2.68 -3.030303943e+00 -4.085421825e+00 -4.205229927e+00 2.70 -2.876302077e+00 -4.016829357e+00 -4.250439756e+00 2.72 -2.713310158e+00 -3.934040550e+00 -4.279669256e+00 2.74 -2.541237993e+00 -3.836832071e+00 -4.294237826e+00 2.76 -2.360130917e+00 -3.725010947e+00 -4.294754004e+00 2.78 -2.170446798e+00 -3.598789887e+00 -4.281059556e+00 2.80 -1.973335883e+00 -3.458984764e+00 -4.252472162e+00 2.82 -1.770718263e+00 -3.306942047e+00 -4.208109909e+00 2.84 -1.564945954e+00 -3.144446868e+00 -4.147134586e+00 2.86 -1.358095362e+00 -2.973746881e+00 -4.068906491e+00 2.88 -1.151310109e+00 -2.797386441e+00 -3.973124846e+00 2.90 -9.446145590e-01 -2.617810481e+00 -3.859989503e+00 2.92 -7.370297313e-01 -2.436915053e+00 -3.730503926e+00 2.94 -5.257076475e-01 -2.255794818e+00 -3.586813839e+00 2.96 -2.953309823e-01 -2.074768072e+00 -3.432252007e+00 2.98 -2.299244892e-01 -1.893510954e+00 -3.270841863e+00 3.00 -2.307888945e-01 -1.710972589e+00 -3.106330737e+00 3.02 -2.311412196e-01 -1.524269912e+00 -2.941242561e+00 3.04 -2.312433120e-01 -1.324389929e+00 -2.776494468e+00 3.06 -2.313050827e-01 -1.228976040e+00 -2.611690535e+00 3.08 -2.315160079e-01 -1.131804888e+00 -2.445756100e+00 3.10 -2.320399769e-01 -1.032515721e+00 -2.277510111e+00 3.12 -2.330099746e-01 -9.302745691e-01 -2.105986238e+00 3.14 -2.345299000e-01 -8.234283996e-01 -1.930515909e+00 3.16 -2.366754125e-01 -7.085679987e-01 -1.750593712e+00 3.18 -2.394946853e-01 -5.765769633e-01 -1.565556800e+00 3.20 -2.430108240e-01 -4.686367620e-01 -1.374463357e+00 3.22 -2.472251193e-01 -5.011075990e-01 -1.176054123e+00 3.24 -2.521206357e-01 -5.286419879e-01 -9.686360795e-01 3.26 -2.576657489e-01 -5.513795715e-01 -7.496082109e-01 3.28 -3.648491858e-01 -5.694849980e-01 -5.134506777e-01 3.30 -4.665483989e-01 -5.831612732e-01 -2.392545098e-01 3.32 -5.601018904e-01 -5.926529474e-01 -1.308717978e-01 3.34 -6.493651231e-01 -5.982327152e-01 -1.756917518e-01 3.36 -7.351050985e-01 -6.001764391e-01 -2.182218742e-01 3.38 -8.166266307e-01 -5.987447719e-01 -2.584731339e-01 3.40 -8.925179130e-01 -5.941912699e-01 -2.964413870e-01 3.42 -9.612714032e-01 -5.868019174e-01 -3.321131204e-01 3.44 -1.021800192e+00 -5.769482477e-01 -3.654719415e-01 3.46 -1.073822015e+00 -5.651206826e-01 -3.965035431e-01 3.48 -1.118110533e+00 -5.519124654e-01 -4.251983413e-01 3.50 -1.156583881e+00 -5.379501851e-01 -4.515520124e-01 3.52 -1.192140494e+00 -5.237997304e-01 -4.755644950e-01 3.54 -1.228121357e+00 -5.098896175e-01 -4.972380994e-01 3.56 -1.267523170e+00 -4.964837153e-01 -5.165760916e-01 3.58 -1.312246468e+00 -5.684316465e-01 -5.335815843e-01 3.60 -1.362666012e+00 -6.282627012e-01 -5.482560155e-01 3.62 -1.417729052e+00 -6.813859489e-01 -5.605972703e-01 3.64 -1.475484864e+00 -7.301325086e-01 -5.705977235e-01 3.66 -1.533744176e+00 -7.754455521e-01 -5.782427546e-01 3.68 -1.590594408e+00 -8.178804742e-01 -5.835107178e-01 3.70 -1.644659848e+00 -8.577676343e-01 -5.863758600e-01 3.72 -1.695139079e+00 -8.952791287e-01 -5.868161341e-01 3.74 -1.741711993e+00 -9.304925998e-01 -5.848277906e-01 3.76 -1.784395388e+00 -1.027195464e+00 -5.804473345e-01 3.78 -1.823332031e+00 -1.158685700e+00 -5.737782495e-01 3.80 -1.858642455e+00 -1.270172710e+00 -5.650150534e-01 3.82 -1.890422452e+00 -1.368855376e+00 -5.544531609e-01 3.84 -1.918756818e+00 -1.457058728e+00 -5.424739195e-01 3.86 -1.943729853e+00 -1.535840380e+00 -5.295029248e-01 3.88 -1.965431379e+00 -1.605756329e+00 -5.159530714e-01 3.90 -1.983958785e+00 -1.667148818e+00 -5.021725962e-01 3.92 -1.999414503e+00 -1.720301459e+00 -4.884154819e-01 3.94 -2.011902540e+00 -1.765551507e+00 -5.190152157e-01 3.96 -2.021527763e+00 -1.803388074e+00 -6.898597896e-01 3.98 -2.028395636e+00 -1.834536964e+00 -8.291345932e-01 4.00 -2.032611884e+00 -1.860016902e+00 -9.544963481e-01 4.02 -2.034282240e+00 -1.881138599e+00 -1.070117844e+00 4.04 -2.033512115e+00 -1.899419447e+00 -1.177941361e+00 4.06 -2.030406331e+00 -1.916406388e+00 -1.279197490e+00 4.08 -2.025068992e+00 -1.933440665e+00 -1.374734955e+00 4.10 -2.017603369e+00 -1.951437325e+00 -1.465112855e+00 4.12 -2.008111796e+00 -1.970760449e+00 -1.550707390e+00 4.14 -1.996695523e+00 -1.991237932e+00 -1.631777372e+00 4.16 -1.983454585e+00 -2.012297423e+00 -1.708502618e+00 4.18 -1.968487680e+00 -2.033160134e+00 -1.781007819e+00 4.20 -1.951892059e+00 -2.053024263e+00 -1.849378209e+00 4.22 -1.933763422e+00 -2.071195337e+00 -1.913670124e+00 4.24 -1.914195814e+00 -2.087153702e+00 -1.973918347e+00 4.26 -1.893281547e+00 -2.100570773e+00 -2.030141356e+00 4.28 -1.871111125e+00 -2.111292781e+00 -2.082345069e+00 4.30 -1.847773181e+00 -2.119307943e+00 -2.130525637e+00 4.32 -1.823354432e+00 -2.124686692e+00 -2.174671376e+00 4.34 -1.797939611e+00 -2.127512391e+00 -2.214764280e+00 4.36 -1.771611470e+00 -2.127868284e+00 -2.250781123e+00 4.38 -1.744450715e+00 -2.125837541e+00 -2.282694412e+00 4.40 -1.716536002e+00 -2.121503388e+00 -2.310473382e+00 4.42 -1.687943921e+00 -2.114949168e+00 -2.334085204e+00 4.44 -1.658748974e+00 -2.106258389e+00 -2.353496839e+00 4.46 -1.629023569e+00 -2.095514744e+00 -2.368677785e+00 4.48 -1.598837978e+00 -2.082802115e+00 -2.379604353e+00 4.50 -1.568260369e+00 -2.068204571e+00 -2.386265900e+00 4.52 -1.537356714e+00 -2.051806329e+00 -2.388673615e+00 4.54 -1.506190815e+00 -2.033691715e+00 -2.386872102e+00 4.56 -1.474824227e+00 -2.013945105e+00 -2.380953526e+00 4.58 -1.443316200e+00 -1.992650853e+00 -2.371073019e+00 4.60 -1.411723619e+00 -1.969893220e+00 -2.357462707e+00 4.62 -1.380100899e+00 -1.945756274e+00 -2.340440051e+00 4.64 -1.348499879e+00 -1.920323792e+00 -2.320405220e+00 4.66 -1.316969684e+00 -1.893679147e+00 -2.297822881e+00 4.68 -1.285556562e+00 -1.865905189e+00 -2.273186948e+00 4.70 -1.254303675e+00 -1.837084122e+00 -2.246972408e+00 4.72 -1.223250929e+00 -1.807297378e+00 -2.219584252e+00 4.74 -1.192434681e+00 -1.776625478e+00 -2.191316634e+00 4.76 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-1.515647765e+00 5.12 -6.620133267e-01 -1.121652919e+00 -1.469787954e+00 5.14 -6.346985490e-01 -1.087647103e+00 -1.423616547e+00 5.16 -6.068367309e-01 -1.054021096e+00 -1.377235682e+00 5.18 -5.782865405e-01 -1.020807683e+00 -1.330747355e+00 5.20 -5.489090471e-01 -9.880365108e-01 -1.284253283e+00 5.22 -5.185772256e-01 -9.557343370e-01 -1.237854719e+00 5.24 -4.871886792e-01 -9.239245940e-01 -1.191652306e+00 5.26 -4.546830596e-01 -8.926277496e-01 -1.145745884e+00 5.28 -4.210605552e-01 -8.618606168e-01 -1.100234291e+00 5.30 -3.864044412e-01 -8.316364820e-01 -1.055215170e+00 5.32 -3.508997354e-01 -8.019652158e-01 -1.010784720e+00 5.34 -3.148502753e-01 -7.728526898e-01 -9.670375620e-01 5.36 -2.786816263e-01 -7.443009643e-01 -9.240663188e-01 5.38 -2.429339225e-01 -7.163078183e-01 -8.819615942e-01 5.40 -2.082320392e-01 -6.888673310e-01 -8.408114451e-01 5.42 -1.752407656e-01 -6.619701476e-01 -8.007013898e-01 5.44 -1.446079750e-01 -6.356013234e-01 -7.617139447e-01 5.46 -1.169008522e-01 -6.097448762e-01 -7.239285320e-01 5.48 -9.255372751e-02 -5.843816524e-01 -6.874211478e-01 5.50 -7.183089748e-02 -5.594911370e-01 -6.522640085e-01 5.52 -5.480940501e-02 -5.350490947e-01 -6.185255160e-01 5.54 -4.139814528e-02 -5.110392021e-01 -5.862703250e-01 5.56 -3.135148297e-02 -4.874414050e-01 -5.555583197e-01 5.58 -2.432879761e-02 -4.642510132e-01 -5.264449967e-01 5.60 -1.991974864e-02 -4.414703410e-01 -4.989807732e-01 5.62 -1.769139828e-02 -4.191227894e-01 -4.732103446e-01 5.64 -1.721856848e-02 -3.972620120e-01 -4.491720717e-01 5.66 -1.815571783e-02 -3.759788897e-01 -4.268973847e-01 5.68 -2.018444775e-02 -3.554043849e-01 -4.064096482e-01 5.70 -2.305389478e-02 -3.357026449e-01 -3.877237372e-01 5.72 -2.658224312e-02 -3.170856159e-01 -3.708455764e-01 5.74 -3.064507663e-02 -2.997654584e-01 -3.557712815e-01 5.76 -3.513883092e-02 -2.839633182e-01 -3.424867234e-01 5.78 -3.996290884e-02 -2.698667827e-01 -3.309678331e-01 5.80 -4.502142155e-02 -2.576165051e-01 -3.211793661e-01 5.82 -5.022565666e-02 -2.472934704e-01 -3.130760859e-01 5.84 -5.549621086e-02 -2.389075632e-01 -3.066019089e-01 5.86 -6.076468791e-02 -2.324016702e-01 -3.016905469e-01 5.88 -6.595746457e-02 -2.276618022e-01 -2.982656051e-01 5.90 -7.104574489e-02 -2.245303023e-01 -2.962416798e-01 5.92 -7.601323312e-02 -2.228232995e-01 -2.955246600e-01 5.94 -8.083887560e-02 -2.223457531e-01 -2.960119324e-01 5.96 -8.550845702e-02 -2.229039365e-01 -2.975944829e-01 5.98 -8.999708190e-02 -2.243149057e-01 -3.001569371e-01 6.00 -9.431663488e-02 -2.264118338e-01 -3.035782500e-01