# 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 = Al3Mn # 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 4.195645722e+02 nan nan 1.18 3.676263542e+02 nan nan 1.20 3.227679720e+02 nan nan 1.22 2.839222482e+02 nan nan 1.24 2.501993937e+02 nan nan 1.26 2.208554595e+02 4.148811298e+02 nan 1.28 1.952694274e+02 3.673671735e+02 nan 1.30 1.729179396e+02 3.258368106e+02 4.006456132e+02 1.32 1.533508221e+02 2.894702927e+02 3.561060152e+02 1.34 1.361737250e+02 2.575600540e+02 3.170167686e+02 1.36 1.210529834e+02 2.294952275e+02 2.826341299e+02 1.38 1.077179230e+02 2.047672431e+02 2.523307272e+02 1.40 9.593986461e+01 1.829410486e+02 2.255733892e+02 1.42 8.552031288e+01 1.636322745e+02 2.019034814e+02 1.44 7.628884163e+01 1.465157462e+02 1.809308795e+02 1.46 6.809682326e+01 1.313256951e+02 1.623187005e+02 1.48 6.081623027e+01 1.178344050e+02 1.457737789e+02 1.50 5.433785495e+01 1.058334433e+02 1.310470149e+02 1.52 4.856307015e+01 9.513295495e+01 1.179218312e+02 1.54 4.340238439e+01 8.557326097e+01 1.062012485e+02 1.56 3.878226493e+01 7.702623807e+01 9.571291298e+01 1.58 3.464335491e+01 6.938193605e+01 8.631566156e+01 1.60 3.093050225e+01 6.253609745e+01 7.788921208e+01 1.62 2.733520060e+01 5.638864718e+01 7.032225198e+01 1.64 2.374784710e+01 5.085139509e+01 6.351338441e+01 1.66 2.052651496e+01 4.585435305e+01 5.737816342e+01 1.68 1.763667168e+01 4.134237939e+01 5.184734118e+01 1.70 1.504402510e+01 3.726754447e+01 4.685914928e+01 1.72 1.277082809e+01 3.358460304e+01 4.235411448e+01 1.74 1.077852543e+01 3.024988098e+01 3.827711721e+01 1.76 8.992756432e+00 2.716912297e+01 3.458265939e+01 1.78 7.396066822e+00 2.387862242e+01 3.123544666e+01 1.80 5.971876170e+00 2.088938900e+01 2.820579185e+01 1.82 4.702253822e+00 1.817559504e+01 2.501016707e+01 1.84 3.568569175e+00 1.571567683e+01 2.205244720e+01 1.86 2.554263299e+00 1.349025789e+01 1.937707178e+01 1.88 1.647076756e+00 1.155240998e+01 1.694847226e+01 1.90 8.383237481e-01 9.838642597e+00 1.473986022e+01 1.92 1.206955688e-01 8.300869896e+00 1.273858687e+01 1.94 -5.133663735e-01 6.917837977e+00 1.101232351e+01 1.96 -1.072375736e+00 5.668437237e+00 9.449214175e+00 1.98 -1.565997634e+00 4.535327233e+00 8.033220930e+00 2.00 -2.004344508e+00 3.506439921e+00 6.748853490e+00 2.02 -2.395983434e+00 2.573297903e+00 5.581387751e+00 2.04 -2.746676147e+00 1.728499228e+00 4.517933685e+00 2.06 -3.060054084e+00 9.646117984e-01 3.548245769e+00 2.08 -3.339000569e+00 2.743650588e-01 2.664338474e+00 2.10 -3.586461893e+00 -3.487463241e-01 1.859525791e+00 2.12 -3.805462404e+00 -9.103452985e-01 1.127744824e+00 2.14 -3.998810519e+00 -1.415305231e+00 4.633409218e-01 2.16 -4.169206199e+00 -1.868027819e+00 -1.389553260e-01 2.18 -4.319395975e+00 -2.272914086e+00 -6.844298513e-01 2.20 -4.452069475e+00 -2.634890356e+00 -1.178933393e+00 2.22 -4.569472732e+00 -2.959523060e+00 -1.628968302e+00 2.24 -4.673094568e+00 -3.252312726e+00 -2.040859636e+00 2.26 -4.763734543e+00 -3.517611719e+00 -2.419514368e+00 2.28 -4.841816863e+00 -3.758188133e+00 -2.767923981e+00 2.30 -4.907657758e+00 -3.975690389e+00 -3.087698195e+00 2.32 -4.961570619e+00 -4.171365826e+00 -3.379896869e+00 2.34 -5.003815108e+00 -4.346497872e+00 -3.645550244e+00 2.36 -5.034534416e+00 -4.502466415e+00 -3.885753682e+00 2.38 -5.053796620e+00 -4.640513469e+00 -4.101428357e+00 2.40 -5.061721725e+00 -4.761643290e+00 -4.293238703e+00 2.42 -5.058724213e+00 -4.866635051e+00 -4.461670743e+00 2.44 -5.045830244e+00 -4.956061816e+00 -4.607200479e+00 2.46 -5.024861229e+00 -5.030316710e+00 -4.730595964e+00 2.48 -4.998182864e+00 -5.089656944e+00 -4.833319781e+00 2.50 -4.967996793e+00 -5.134286401e+00 -4.917810793e+00 2.52 -4.935657041e+00 -5.164498384e+00 -4.987281641e+00 2.54 -4.901528825e+00 -5.180874230e+00 -5.044921127e+00 2.56 -4.865360006e+00 -5.184462614e+00 -5.092993822e+00 2.58 -4.826758607e+00 -5.176802428e+00 -5.132515839e+00 2.60 -4.785491357e+00 -5.159727671e+00 -5.163615203e+00 2.62 -4.741562262e+00 -5.135086620e+00 -5.186132378e+00 2.64 -4.695071522e+00 -5.104549891e+00 -5.200055814e+00 2.66 -4.646085349e+00 -5.069497804e+00 -5.205690318e+00 2.68 -4.594629679e+00 -5.030909487e+00 -5.203553135e+00 2.70 -4.540694349e+00 -4.989319950e+00 -5.194158408e+00 2.72 -4.484236500e+00 -4.944938725e+00 -5.177978408e+00 2.74 -4.425183939e+00 -4.897847275e+00 -5.155444913e+00 2.76 -4.363440594e+00 -4.848120009e+00 -5.126950313e+00 2.78 -4.298898744e+00 -4.795924297e+00 -5.092847946e+00 2.80 -4.231465999e+00 -4.741558778e+00 -5.053451825e+00 2.82 -4.161117192e+00 -4.685387432e+00 -5.009036788e+00 2.84 -4.087976909e+00 -4.627764475e+00 -4.959842058e+00 2.86 -4.012419183e+00 -4.569026621e+00 -4.906083928e+00 2.88 -3.935135987e+00 -4.509492823e+00 -4.847985994e+00 2.90 -3.857101965e+00 -4.449463525e+00 -4.785834722e+00 2.92 -3.779399720e+00 -4.389219591e+00 -4.720058844e+00 2.94 -3.702974124e+00 -4.329020988e+00 -4.651306995e+00 2.96 -3.628458558e+00 -4.269105387e+00 -4.580468571e+00 2.98 -3.556163284e+00 -4.209686746e+00 -4.508582692e+00 3.00 -3.486191615e+00 -4.150953979e+00 -4.436642137e+00 3.02 -3.418584835e+00 -4.093069782e+00 -4.365389032e+00 3.04 -3.353424750e+00 -4.036169665e+00 -4.295219372e+00 3.06 -3.290878164e+00 -3.980361144e+00 -4.226231224e+00 3.08 -3.231187845e+00 -3.925722959e+00 -4.158355825e+00 3.10 -3.174605080e+00 -3.872304717e+00 -4.091488488e+00 3.12 -3.121352004e+00 -3.820127010e+00 -4.025574259e+00 3.14 -3.071616450e+00 -3.769182073e+00 -3.960644354e+00 3.16 -3.025548165e+00 -3.719435253e+00 -3.896802978e+00 3.18 -2.983254820e+00 -3.670827834e+00 -3.834170928e+00 3.20 -2.944799339e+00 -3.623282130e+00 -3.772868761e+00 3.22 -2.910198627e+00 -3.576709995e+00 -3.713018085e+00 3.24 -2.879423583e+00 -3.531025706e+00 -3.654742018e+00 3.26 -2.852400400e+00 -3.486162585e+00 -3.598164650e+00 3.28 -2.829013136e+00 -3.442089545e+00 -3.543409609e+00 3.30 -2.809107376e+00 -3.398819856e+00 -3.490597945e+00 3.32 -2.792494738e+00 -3.356404117e+00 -3.439845483e+00 3.34 -2.778957936e+00 -3.314907021e+00 -3.391259881e+00 3.36 -2.768256075e+00 -3.274381454e+00 -3.344937571e+00 3.38 -2.760129883e+00 -3.234862185e+00 -3.300960780e+00 3.40 -2.754306571e+00 -3.196393260e+00 -3.259394797e+00 3.42 -2.750504189e+00 -3.159081080e+00 -3.220285616e+00 3.44 -2.748435305e+00 -3.123143886e+00 -3.183658066e+00 3.46 -2.747810041e+00 -3.088922503e+00 -3.149514472e+00 3.48 -2.748338608e+00 -3.056832979e+00 -3.117833860e+00 3.50 -2.749733659e+00 -3.027274164e+00 -3.088571660e+00 3.52 -2.751713015e+00 -3.000531543e+00 -3.061659795e+00 3.54 -2.754003367e+00 -2.976715532e+00 -3.037006588e+00 3.56 -2.756346349e+00 -2.955761162e+00 -3.014496858e+00 3.58 -2.758508231e+00 -2.937479446e+00 -2.993992587e+00 3.60 -2.760293345e+00 -2.921621772e+00 -2.975333841e+00 3.62 -2.761559748e+00 -2.907932958e+00 -2.958339994e+00 3.64 -2.762232867e+00 -2.896184062e+00 -2.942811661e+00 3.66 -2.762310082e+00 -2.886186487e+00 -2.928533995e+00 3.68 -2.761849350e+00 -2.877788655e+00 -2.915282417e+00 3.70 -2.760940384e+00 -2.870846892e+00 -2.902832239e+00 3.72 -2.759666065e+00 -2.865210245e+00 -2.890973659e+00 3.74 -2.758068748e+00 -2.860722271e+00 -2.879532892e+00 3.76 -2.756134175e+00 -2.857223619e+00 -2.868398015e+00 3.78 -2.753795614e+00 -2.854554514e+00 -2.857544308e+00 3.80 -2.750952149e+00 -2.852557124e+00 -2.847049437e+00 3.82 -2.747491731e+00 -2.851077694e+00 -2.837087024e+00 3.84 -2.743310456e+00 -2.849968437e+00 -2.827891912e+00 3.86 -2.738324707e+00 -2.849089103e+00 -2.819702445e+00 3.88 -2.732476402e+00 -2.848308241e+00 -2.812698363e+00 3.90 -2.725732673e+00 -2.847504113e+00 -2.806957340e+00 3.92 -2.718076477e+00 -2.846565281e+00 -2.802444097e+00 3.94 -2.709495666e+00 -2.845390909e+00 -2.799030143e+00 3.96 -2.699981278e+00 -2.843890772e+00 -2.796530574e+00 3.98 -2.689527224e+00 -2.841985045e+00 -2.794742482e+00 4.00 -2.678129976e+00 -2.839603909e+00 -2.793474995e+00 4.02 -2.665788315e+00 -2.836687001e+00 -2.792567647e+00 4.04 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-2.756621013e+00 4.40 -2.263509409e+00 -2.646564723e+00 -2.750233838e+00 4.42 -2.234751081e+00 -2.629292511e+00 -2.743111826e+00 4.44 -2.205416346e+00 -2.611365446e+00 -2.735229314e+00 4.46 -2.175538448e+00 -2.592800357e+00 -2.726564324e+00 4.48 -2.145151653e+00 -2.573614649e+00 -2.717098630e+00 4.50 -2.114291146e+00 -2.553826230e+00 -2.706817757e+00 4.52 -2.082992920e+00 -2.533453436e+00 -2.695710948e+00 4.54 -2.051293654e+00 -2.512514977e+00 -2.683771068e+00 4.56 -2.019230571e+00 -2.491029881e+00 -2.670994478e+00 4.58 -1.986841274e+00 -2.469017446e+00 -2.657380864e+00 4.60 -1.954163602e+00 -2.446497201e+00 -2.642933044e+00 4.62 -1.921235442e+00 -2.423488870e+00 -2.627656739e+00 4.64 -1.888094543e+00 -2.400012337e+00 -2.611560342e+00 4.66 -1.854778345e+00 -2.376087626e+00 -2.594654667e+00 4.68 -1.821323762e+00 -2.351734876e+00 -2.576952699e+00 4.70 -1.787767027e+00 -2.326974316e+00 -2.558469347e+00 4.72 -1.754143464e+00 -2.301826250e+00 -2.539221203e+00 4.74 -1.720487373e+00 -2.276311040e+00 -2.519226317e+00 4.76 -1.686831794e+00 -2.250449076e+00 -2.498503969e+00 4.78 -1.653208464e+00 -2.224260768e+00 -2.477074482e+00 4.80 -1.619647623e+00 -2.197766514e+00 -2.454959039e+00 4.82 -1.586177952e+00 -2.170986674e+00 -2.432179507e+00 4.84 -1.552826557e+00 -2.143941536e+00 -2.408758314e+00 4.86 -1.519618903e+00 -2.116651286e+00 -2.384718302e+00 4.88 -1.486578850e+00 -2.089135957e+00 -2.360082624e+00 4.90 -1.453728702e+00 -2.061415392e+00 -2.334874657e+00 4.92 -1.421089297e+00 -2.033509179e+00 -2.309117908e+00 4.94 -1.388680055e+00 -2.005436603e+00 -2.282835965e+00 4.96 -1.356519322e+00 -1.977216579e+00 -2.256052426e+00 4.98 -1.324624207e+00 -1.948867593e+00 -2.228790823e+00 5.00 -1.293011104e+00 -1.920407623e+00 -2.201074484e+00 5.02 -1.261695642e+00 -1.891854077e+00 -2.172926449e+00 5.04 -1.230692960e+00 -1.863223722e+00 -2.144369459e+00 5.06 -1.200017908e+00 -1.834532631e+00 -2.115425924e+00 5.08 -1.169685055e+00 -1.805796098e+00 -2.086117910e+00 5.10 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-1.519384416e+00 5.46 -6.785176735e-01 -1.264856532e+00 -1.486920857e+00 5.48 -6.580971088e-01 -1.237024509e+00 -1.454475739e+00 5.50 -6.382631389e-01 -1.209263994e+00 -1.422067282e+00 5.52 -6.190166682e-01 -1.181573675e+00 -1.389713833e+00 5.54 -6.003483197e-01 -1.153952646e+00 -1.357433837e+00 5.56 -5.822441809e-01 -1.126401185e+00 -1.325245854e+00 5.58 -5.646859769e-01 -1.098920738e+00 -1.293168570e+00 5.60 -5.476532892e-01 -1.071515564e+00 -1.261220791e+00 5.62 -5.311234628e-01 -1.044192591e+00 -1.229421367e+00 5.64 -5.150736895e-01 -1.016963283e+00 -1.197789229e+00 5.66 -4.994797034e-01 -9.898436485e-01 -1.166343175e+00 5.68 -4.842914319e-01 -9.628551286e-01 -1.135102256e+00 5.70 -4.694836282e-01 -9.360237697e-01 -1.104085012e+00 5.72 -4.550595785e-01 -9.093799442e-01 -1.073310203e+00 5.74 -4.408979982e-01 -8.829580742e-01 -1.042796242e+00 5.76 -4.270936581e-01 -8.567925482e-01 -1.012560965e+00 5.78 -4.134658171e-01 -8.309169754e-01 -9.826224225e-01 5.80 -4.001408437e-01 -8.053616893e-01 -9.529975504e-01 5.82 -3.869908470e-01 -7.801525216e-01 -9.237033749e-01 5.84 -3.740289204e-01 -7.553087544e-01 -8.947558540e-01 5.86 -3.613594983e-01 -7.308422145e-01 -8.661704089e-01 5.88 -3.487743110e-01 -7.067620609e-01 -8.379620631e-01 5.90 -3.363920402e-01 -6.830711779e-01 -8.101440179e-01 5.92 -3.243344286e-01 -6.597692823e-01 -7.827301480e-01 5.94 -3.126297629e-01 -6.368546419e-01 -7.557310838e-01 5.96 -3.009046215e-01 -6.143247086e-01 -7.291590148e-01 5.98 -2.895333018e-01 -5.921703742e-01 -7.030237805e-01 6.00 -2.785745906e-01 -5.703971286e-01 -6.773345946e-01