# 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 = AlMn3 # 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 2.022723979e+02 nan nan 1.18 1.802567447e+02 nan nan 1.20 1.610315869e+02 nan nan 1.22 1.441888071e+02 nan nan 1.24 1.293907658e+02 nan nan 1.26 1.163565347e+02 2.068073457e+02 nan 1.28 1.048536663e+02 1.860100490e+02 nan 1.30 9.468495164e+01 1.676341122e+02 2.009581671e+02 1.32 8.567410870e+01 1.513681383e+02 1.814021310e+02 1.34 7.765722587e+01 1.369364420e+02 1.640575185e+02 1.36 7.049503890e+01 1.240956120e+02 1.486322561e+02 1.38 6.408165385e+01 1.126499171e+02 1.348831607e+02 1.40 5.832888699e+01 1.024305490e+02 1.226041280e+02 1.42 5.315879682e+01 9.327974789e+01 1.116153241e+02 1.44 4.850487523e+01 8.506531489e+01 1.017646212e+02 1.46 4.430829764e+01 7.768609804e+01 9.291872931e+01 1.48 4.051864881e+01 7.105518868e+01 8.495912703e+01 1.50 3.709372998e+01 6.508507943e+01 7.778702651e+01 1.52 3.399276303e+01 5.969019161e+01 7.131564727e+01 1.54 3.117626053e+01 5.480112944e+01 6.546045384e+01 1.56 2.861398529e+01 5.036825563e+01 6.014682267e+01 1.58 2.628412678e+01 4.635006627e+01 5.531873777e+01 1.60 2.416412764e+01 4.270217739e+01 5.093029119e+01 1.62 2.222828139e+01 3.937698524e+01 4.693523505e+01 1.64 2.045536968e+01 3.633236404e+01 4.328912489e+01 1.66 1.883231205e+01 3.353883549e+01 3.995730221e+01 1.68 1.734899135e+01 3.097691359e+01 3.691394330e+01 1.70 1.493756368e+01 2.863005218e+01 3.413506462e+01 1.72 1.205071711e+01 2.648055839e+01 3.159402804e+01 1.74 9.455994175e+00 2.450880251e+01 2.926425874e+01 1.76 7.129206892e+00 2.269426413e+01 2.712513089e+01 1.78 5.051078674e+00 2.101897660e+01 2.516311770e+01 1.80 3.233782658e+00 1.947041964e+01 2.336767755e+01 1.82 1.630819580e+00 1.804064338e+01 2.172633637e+01 1.84 2.161797678e-01 1.672316591e+01 2.022203305e+01 1.86 -1.029470906e+00 1.405143549e+01 1.883496085e+01 1.88 -2.121677433e+00 1.147347191e+01 1.754813860e+01 1.90 -3.072867998e+00 9.149150029e+00 1.578442389e+01 1.92 -3.894446972e+00 7.057734650e+00 1.317078226e+01 1.94 -4.598291553e+00 5.176544373e+00 1.080224653e+01 1.96 -5.197318476e+00 3.512370962e+00 8.659075393e+00 1.98 -5.705533437e+00 2.021759000e+00 6.721809818e+00 2.00 -6.137182504e+00 6.847522545e-01 4.990416890e+00 2.02 -6.504626360e+00 -5.095976032e-01 3.445985402e+00 2.04 -6.816969806e+00 -1.571586294e+00 2.052947480e+00 2.06 -7.080660714e+00 -2.511904901e+00 7.976547573e-01 2.08 -7.300837234e+00 -3.341360639e+00 -3.312363994e-01 2.10 -7.482149936e+00 -4.070173276e+00 -1.343696083e+00 2.12 -7.628831635e+00 -4.707748903e+00 -2.248965248e+00 2.14 -7.744481254e+00 -5.262707469e+00 -3.055740525e+00 2.16 -7.832257923e+00 -5.743064575e+00 -3.772174156e+00 2.18 -7.895124981e+00 -6.156619145e+00 -4.406257486e+00 2.20 -7.935828037e+00 -6.511410999e+00 -4.966358470e+00 2.22 -7.956574748e+00 -6.815782659e+00 -5.461306001e+00 2.24 -7.958769484e+00 -7.077638415e+00 -5.899565012e+00 2.26 -7.943111839e+00 -7.303346243e+00 -6.288006620e+00 2.28 -7.909926319e+00 -7.497304234e+00 -6.631421300e+00 2.30 -7.859438197e+00 -7.662423546e+00 -6.933059424e+00 2.32 -7.791891302e+00 -7.800877462e+00 -7.195466054e+00 2.34 -7.707504433e+00 -7.914576368e+00 -7.421000214e+00 2.36 -7.606411003e+00 -8.005270235e+00 -7.611928394e+00 2.38 -7.488704711e+00 -8.074361661e+00 -7.770191330e+00 2.40 -7.354568692e+00 -8.122849068e+00 -7.897330031e+00 2.42 -7.204516309e+00 -8.151374612e+00 -7.994574458e+00 2.44 -7.039704105e+00 -8.160272377e+00 -8.063025778e+00 2.46 -6.862109179e+00 -8.149618785e+00 -8.103974304e+00 2.48 -6.674270993e+00 -8.119297902e+00 -8.119318338e+00 2.50 -6.478576265e+00 -8.069105059e+00 -8.111861313e+00 2.52 -6.276572520e+00 -7.998915779e+00 -8.085123494e+00 2.54 -6.068825800e+00 -7.908911733e+00 -8.042555821e+00 2.56 -5.855291067e+00 -7.799785379e+00 -7.986647476e+00 2.58 -5.635790403e+00 -7.672786598e+00 -7.918606925e+00 2.60 -5.410318195e+00 -7.529548342e+00 -7.838725377e+00 2.62 -5.179126637e+00 -7.371822211e+00 -7.746978926e+00 2.64 -4.942585542e+00 -7.201297417e+00 -7.643464887e+00 2.66 -4.701047881e+00 -7.019492761e+00 -7.528570721e+00 2.68 -4.454832279e+00 -6.827643758e+00 -7.402874699e+00 2.70 -4.204203465e+00 -6.626651142e+00 -7.266941371e+00 2.72 -3.949331273e+00 -6.417184832e+00 -7.121290786e+00 2.74 -3.690213038e+00 -6.199862281e+00 -6.966405465e+00 2.76 -3.426526937e+00 -5.975349423e+00 -6.802735476e+00 2.78 -3.157334804e+00 -5.744435030e+00 -6.630701443e+00 2.80 -2.880388515e+00 -5.508036807e+00 -6.450695958e+00 2.82 -2.590086157e+00 -5.267099011e+00 -6.263084996e+00 2.84 -2.268252080e+00 -5.022473772e+00 -6.068212697e+00 2.86 -1.749089401e+00 -4.774853109e+00 -5.866415508e+00 2.88 -1.553300255e+00 -4.524680181e+00 -5.658054232e+00 2.90 -1.366475973e+00 -4.272004668e+00 -5.443572502e+00 2.92 -1.190554535e+00 -4.016216057e+00 -5.223578806e+00 2.94 -1.027222200e+00 -3.755470733e+00 -4.998924727e+00 2.96 -8.777168240e-01 -3.485184134e+00 -4.770723657e+00 2.98 -7.427958892e-01 -3.192531383e+00 -4.540253658e+00 3.00 -6.228357648e-01 -2.810211922e+00 -4.308749749e+00 3.02 -5.179650682e-01 -2.423440385e+00 -4.077180086e+00 3.04 -4.281616630e-01 -2.260099268e+00 -3.846119573e+00 3.06 -3.532946304e-01 -2.103913773e+00 -3.615749384e+00 3.08 -2.931157422e-01 -1.955021924e+00 -3.385909089e+00 3.10 -2.471943248e-01 -1.813478956e+00 -3.156091193e+00 3.12 -2.148825551e-01 -1.679269119e+00 -2.925267366e+00 3.14 -1.953104264e-01 -1.552317706e+00 -2.691358750e+00 3.16 -1.873687536e-01 -1.432503043e+00 -2.449714135e+00 3.18 -1.896650077e-01 -1.319668519e+00 -2.187413236e+00 3.20 -2.001625396e-01 -1.213635253e+00 -1.829370336e+00 3.22 -2.181535082e-01 -1.114216418e+00 -1.513750626e+00 3.24 -2.440420983e-01 -1.021234138e+00 -1.378719687e+00 3.26 -2.774892028e-01 -9.345384852e-01 -1.252505317e+00 3.28 -3.179061852e-01 -8.540249919e-01 -1.135357013e+00 3.30 -3.645748936e-01 -7.796434344e-01 -1.027438537e+00 3.32 -4.167159950e-01 -7.113904998e-01 -9.288262110e-01 3.34 -4.735305364e-01 -6.492871353e-01 -8.395090558e-01 3.36 -5.342262434e-01 -5.933566081e-01 -7.593907980e-01 3.38 -5.980346489e-01 -5.436322873e-01 -6.882936831e-01 3.40 -6.642218321e-01 -5.002355159e-01 -6.259639357e-01 3.42 -7.320946611e-01 -4.637249447e-01 -5.720786592e-01 3.44 -8.010037377e-01 -4.497793845e-01 -5.262538826e-01 3.46 -8.703440186e-01 -4.438275801e-01 -4.880534931e-01 3.48 -9.395539121e-01 -4.415500312e-01 -4.569987351e-01 3.50 -1.008113666e+00 -4.432350772e-01 -4.325779936e-01 3.52 -1.075543981e+00 -4.490606066e-01 -4.142567327e-01 3.54 -1.141406262e+00 -4.590332295e-01 -4.014880428e-01 3.56 -1.205305498e+00 -4.729872460e-01 -3.937231497e-01 3.58 -1.266896407e+00 -4.906333766e-01 -3.904207885e-01 3.60 -1.325893404e+00 -5.116201652e-01 -3.910554753e-01 3.62 -1.382083018e+00 -5.355846491e-01 -3.951245315e-01 3.64 -1.435334501e+00 -5.621838291e-01 -4.021536490e-01 3.66 -1.485601613e+00 -5.911085450e-01 -4.117011962e-01 3.68 -1.532908733e+00 -6.220810718e-01 -4.233622102e-01 3.70 -1.577319761e+00 -6.548288026e-01 -4.367739914e-01 3.72 -1.618897581e+00 -6.890717882e-01 -4.516255173e-01 3.74 -1.745220672e+00 -7.245264673e-01 -4.676726731e-01 3.76 -1.949440001e+00 -7.609099266e-01 -4.847583113e-01 3.78 -2.057176565e+00 -7.979438103e-01 -5.028326021e-01 3.80 -2.139778037e+00 -8.353577623e-01 -5.219637895e-01 3.82 -2.207956823e+00 -8.728923571e-01 -5.423279919e-01 3.84 -2.265791572e+00 -9.103014897e-01 -5.641711030e-01 3.86 -2.315324949e+00 -9.473542246e-01 -5.877479542e-01 3.88 -2.357754682e+00 -9.838361358e-01 -6.132573790e-01 3.90 -2.393866956e+00 -1.020933721e+00 -6.407960408e-01 3.92 -2.424219762e+00 -1.068718639e+00 -6.703450607e-01 3.94 -2.449229353e+00 -1.116467191e+00 -7.017874593e-01 3.96 -2.469222436e+00 -1.228522128e+00 -7.349429174e-01 3.98 -2.484467855e+00 -1.448982654e+00 -7.696044374e-01 4.00 -2.495196353e+00 -1.566261163e+00 -8.055669509e-01 4.02 -2.501613423e+00 -1.660360201e+00 -8.426445972e-01 4.04 -2.503907958e+00 -1.741852994e+00 -8.806778480e-01 4.06 -2.502258214e+00 -1.814692921e+00 -9.195323658e-01 4.08 -2.496835912e+00 -1.880825422e+00 -9.590830428e-01 4.10 -2.487809115e+00 -1.941358638e+00 -9.991984341e-01 4.12 -2.475344350e+00 -1.996986697e+00 -1.039740049e+00 4.14 -2.459608117e+00 -2.048175788e+00 -1.080563487e+00 4.16 -2.440767919e+00 -2.095257039e+00 -1.121519650e+00 4.18 -2.418992933e+00 -2.138477163e+00 -1.332145199e+00 4.20 -2.394454386e+00 -2.178027979e+00 -1.475164273e+00 4.22 -2.367325692e+00 -2.214064469e+00 -1.577010510e+00 4.24 -2.337782405e+00 -2.246716297e+00 -1.662806493e+00 4.26 -2.306001993e+00 -2.276095378e+00 -1.739184180e+00 4.28 -2.272163473e+00 -2.302300991e+00 -1.808968898e+00 4.30 -2.236446930e+00 -2.325423320e+00 -1.873620918e+00 4.32 -2.199032922e+00 -2.345546076e+00 -1.933977462e+00 4.34 -2.160101799e+00 -2.362748667e+00 -1.990548690e+00 4.36 -2.119832950e+00 -2.377107797e+00 -2.043656788e+00 4.38 -2.078403992e+00 -2.388698618e+00 -2.093509170e+00 4.40 -2.035989908e+00 -2.397595570e+00 -2.140240313e+00 4.42 -1.992762171e+00 -2.403873004e+00 -2.183937208e+00 4.44 -1.948887844e+00 -2.407605613e+00 -2.224655630e+00 4.46 -1.904528692e+00 -2.408868740e+00 -2.262430926e+00 4.48 -1.859840314e+00 -2.407738561e+00 -2.297285410e+00 4.50 -1.814971311e+00 -2.404292200e+00 -2.329233508e+00 4.52 -1.770062510e+00 -2.398607753e+00 -2.358285421e+00 4.54 -1.725246254e+00 -2.390764273e+00 -2.384449743e+00 4.56 -1.680645768e+00 -2.380841690e+00 -2.407735343e+00 4.58 -1.636374630e+00 -2.368920707e+00 -2.428152709e+00 4.60 -1.592536330e+00 -2.355082656e+00 -2.445714897e+00 4.62 -1.549223954e+00 -2.339409327e+00 -2.460438194e+00 4.64 -1.506519981e+00 -2.321982785e+00 -2.472342551e+00 4.66 -1.464496191e+00 -2.302885163e+00 -2.481451864e+00 4.68 -1.423213708e+00 -2.282198450e+00 -2.487794122e+00 4.70 -1.382723154e+00 -2.260004276e+00 -2.491401471e+00 4.72 -1.343064913e+00 -2.236383688e+00 -2.492310209e+00 4.74 -1.304269521e+00 -2.211416935e+00 -2.490560728e+00 4.76 -1.266358128e+00 -2.185183258e+00 -2.486197432e+00 4.78 -1.229343078e+00 -2.157760692e+00 -2.479268623e+00 4.80 -1.193228544e+00 -2.129225878e+00 -2.469826377e+00 4.82 -1.158011231e+00 -2.099653894e+00 -2.457926411e+00 4.84 -1.123681139e+00 -2.069118107e+00 -2.443627944e+00 4.86 -1.090222352e+00 -2.037690044e+00 -2.426993562e+00 4.88 -1.057613848e+00 -2.005439287e+00 -2.408089078e+00 4.90 -1.025830324e+00 -1.972433391e+00 -2.386983398e+00 4.92 -9.948430010e-01 -1.938737830e+00 -2.363748388e+00 4.94 -9.646204403e-01 -1.904415964e+00 -2.338458744e+00 4.96 -9.351292900e-01 -1.869529034e+00 -2.311191864e+00 4.98 -9.063350362e-01 -1.834136175e+00 -2.282027749e+00 5.00 -8.782026770e-01 -1.798294454e+00 -2.251048974e+00 5.02 -8.506973609e-01 -1.762058927e+00 -2.218340639e+00 5.04 -8.237849561e-01 -1.725482709e+00 -2.183990275e+00 5.06 -7.974325684e-01 -1.688617062e+00 -2.148087734e+00 5.08 -7.716089750e-01 -1.651511485e+00 -2.110725064e+00 5.10 -7.462850347e-01 -1.614213820e+00 -2.071996357e+00 5.12 -7.214339524e-01 -1.576770351e+00 -2.031997582e+00 5.14 -6.970315951e-01 -1.539225910e+00 -1.990826395e+00 5.16 -6.730566149e-01 -1.501623971e+00 -1.948581929e+00 5.18 -6.494906151e-01 -1.464006738e+00 -1.905364568e+00 5.20 -6.263181782e-01 -1.426415223e+00 -1.861275694e+00 5.22 -6.035269154e-01 -1.388889306e+00 -1.816417422e+00 5.24 -5.811073769e-01 -1.351467784e+00 -1.770892314e+00 5.26 -5.590530583e-01 -1.314188381e+00 -1.724803076e+00 5.28 -5.373600769e-01 -1.277087774e+00 -1.678252246e+00 5.30 -5.160271226e-01 -1.240201553e+00 -1.631341860e+00 5.32 -4.950555408e-01 -1.203564191e+00 -1.584173117e+00 5.34 -4.744483020e-01 -1.167208984e+00 -1.536846028e+00 5.36 -4.542105517e-01 -1.131167963e+00 -1.489459067e+00 5.38 -4.343489889e-01 -1.095471801e+00 -1.442108810e+00 5.40 -4.148714816e-01 -1.060149713e+00 -1.394889589e+00 5.42 -3.957870507e-01 -1.025229336e+00 -1.347893136e+00 5.44 -3.771055740e-01 -9.907366384e-01 -1.301208242e+00 5.46 -3.588350989e-01 -9.566958368e-01 -1.254920431e+00 5.48 -3.409870179e-01 -9.231293617e-01 -1.209111637e+00 5.50 -3.235700038e-01 -8.900578690e-01 -1.163859907e+00 5.52 -3.065929438e-01 -8.575003963e-01 -1.119239131e+00 5.54 -2.900649660e-01 -8.254745285e-01 -1.075318781e+00 5.56 -2.739850183e-01 -7.939968264e-01 -1.032163690e+00 5.58 -2.583632268e-01 -7.630833157e-01 -9.898338605e-01 5.60 -2.432025043e-01 -7.327501621e-01 -9.483842971e-01 5.62 -2.284990509e-01 -7.030144528e-01 -9.078648680e-01 5.64 -2.142495112e-01 -6.738949544e-01 -8.683202389e-01 5.66 -2.004634102e-01 -6.454128960e-01 -8.297897922e-01 5.68 -1.871331823e-01 -6.175922055e-01 -7.923076143e-01 5.70 -1.741606224e-01 -5.904595998e-01 -7.559025087e-01 5.72 -1.617490504e-01 -5.640437706e-01 -7.205980531e-01 5.74 -1.495142169e-01 -5.383742104e-01 -6.864126985e-01 5.76 -1.377424157e-01 -5.134792073e-01 -6.533598396e-01 5.78 -1.267331809e-01 -4.893838422e-01 -6.214480684e-01 5.80 -1.137552994e-01 -4.661078243e-01 -5.906812277e-01 5.82 -9.974036625e-02 -4.436640656e-01 -5.610587317e-01 5.84 -8.655778290e-02 -4.220578368e-01 -5.325757464e-01 5.86 -7.451672794e-02 -4.012864144e-01 -5.052234363e-01 5.88 -6.374825623e-02 -3.813402965e-01 -4.789892023e-01 5.90 -5.426856091e-02 -3.622037875e-01 -4.538571229e-01 5.92 -4.602470102e-02 -3.438567700e-01 -4.298080016e-01 5.94 -3.892577714e-02 -3.262763504e-01 -4.068198955e-01 5.96 -3.286379356e-02 -3.094377113e-01 -3.848682866e-01 5.98 -2.772389827e-02 -2.933154314e-01 -3.639262660e-01 6.00 -2.339380526e-02 -2.778838623e-01 -3.439653618e-01