# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = Al3Ni # 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 1.254679075e+02 nan nan 0.92 1.174512227e+02 nan nan 0.94 1.100915988e+02 nan nan 0.96 1.032689482e+02 nan nan 0.98 9.692125328e+01 nan nan 1.00 9.103017723e+01 1.189164610e+02 1.291249289e+02 1.02 8.554051508e+01 1.120837274e+02 1.216937415e+02 1.04 8.040318355e+01 1.056962560e+02 1.147743490e+02 1.06 7.557225856e+01 9.973474172e+01 1.082891662e+02 1.08 7.102369684e+01 9.415547929e+01 1.022274521e+02 1.10 6.674077908e+01 8.891378901e+01 9.655868373e+01 1.12 6.270472796e+01 8.399046030e+01 9.127552310e+01 1.14 5.888470899e+01 7.934976802e+01 8.633830739e+01 1.16 5.527947298e+01 7.498159815e+01 8.171094601e+01 1.18 5.185542302e+01 7.088326624e+01 7.735269293e+01 1.20 4.859092723e+01 6.701875402e+01 7.323211879e+01 1.22 4.548625730e+01 6.333803951e+01 6.932814265e+01 1.24 4.253183538e+01 5.981339153e+01 6.560658595e+01 1.26 3.973805596e+01 5.644496819e+01 6.205267154e+01 1.28 3.710145897e+01 5.321882318e+01 5.866951208e+01 1.30 3.459765437e+01 5.012693383e+01 5.544236932e+01 1.32 3.221682003e+01 4.716488846e+01 5.236020970e+01 1.34 2.996360071e+01 4.434124877e+01 4.942732495e+01 1.36 2.782906690e+01 4.166426339e+01 4.664061585e+01 1.38 2.579880252e+01 3.912518042e+01 4.398465034e+01 1.40 2.386774746e+01 3.671148528e+01 4.144535944e+01 1.42 2.204908175e+01 3.440997004e+01 3.901994624e+01 1.44 2.034436976e+01 3.221470238e+01 3.671224346e+01 1.46 1.874056471e+01 3.013005437e+01 3.451383723e+01 1.48 1.722398652e+01 2.815472894e+01 3.240625501e+01 1.50 1.578918134e+01 2.627829981e+01 3.037386109e+01 1.52 1.444583949e+01 2.449147473e+01 2.841624661e+01 1.54 1.319518605e+01 2.278808077e+01 2.654775278e+01 1.56 1.202052597e+01 2.115651695e+01 2.477407958e+01 1.58 1.091205567e+01 1.958932488e+01 2.309001970e+01 1.60 9.861758779e+00 1.809246244e+01 2.149146751e+01 1.62 8.867028119e+00 1.667892058e+01 1.997794959e+01 1.64 7.932598291e+00 1.535451928e+01 1.854608799e+01 1.66 7.062272702e+00 1.411642936e+01 1.719422299e+01 1.68 6.250975814e+00 1.295870264e+01 1.592194230e+01 1.70 5.493600196e+00 1.186998526e+01 1.472507353e+01 1.72 4.784711548e+00 1.084722769e+01 1.359629644e+01 1.74 4.118628439e+00 9.885266820e+00 1.252253378e+01 1.76 3.490097458e+00 8.977644387e+00 1.149914301e+01 1.78 2.895595142e+00 8.117763185e+00 1.052519510e+01 1.80 2.335868225e+00 7.300092416e+00 9.597113336e+00 1.82 1.814527932e+00 6.522637126e+00 8.713669289e+00 1.84 1.330892041e+00 5.788012521e+00 7.877825560e+00 1.86 8.831432975e-01 5.098122442e+00 7.091744317e+00 1.88 4.683535944e-01 4.451415865e+00 6.353987020e+00 1.90 8.168765864e-02 3.844238743e+00 5.660899850e+00 1.92 -2.812770794e-01 3.272672880e+00 5.008671684e+00 1.94 -6.241870352e-01 2.733802435e+00 4.393834713e+00 1.96 -9.495261136e-01 2.227350132e+00 3.813352298e+00 1.98 -1.258665286e+00 1.754720084e+00 3.264072240e+00 2.00 -1.552828267e+00 1.314621772e+00 2.741895460e+00 2.02 -1.830615640e+00 9.037949666e-01 2.242401962e+00 2.04 -2.086750319e+00 5.183228669e-01 1.762344139e+00 2.06 -2.318110611e+00 1.537709972e-01 1.301702448e+00 2.08 -2.526253474e+00 -1.939732524e-01 8.646300183e-01 2.10 -2.712647335e+00 -5.277870894e-01 4.550614931e-01 2.12 -2.878249114e+00 -8.485235445e-01 7.366202295e-02 2.14 -3.023674695e+00 -1.155211109e+00 -2.809991687e-01 2.16 -3.149203852e+00 -1.446579641e+00 -6.107513406e-01 2.18 -3.255379631e+00 -1.720687256e+00 -9.173966646e-01 2.20 -3.343927252e+00 -1.975607382e+00 -1.202694107e+00 2.22 -3.418502954e+00 -2.210533058e+00 -1.468277560e+00 2.24 -3.483020841e+00 -2.425634102e+00 -1.715471707e+00 2.26 -3.539412050e+00 -2.621584653e+00 -1.945055167e+00 2.28 -3.588969589e+00 -2.799072208e+00 -2.157397303e+00 2.30 -3.632957682e+00 -2.958788908e+00 -2.353300402e+00 2.32 -3.672450117e+00 -3.101356998e+00 -2.533991336e+00 2.34 -3.707956139e+00 -3.227156677e+00 -2.700704299e+00 2.36 -3.738849370e+00 -3.336464299e+00 -2.854575470e+00 2.38 -3.763130432e+00 -3.429874669e+00 -2.996539917e+00 2.40 -3.778554161e+00 -3.508792144e+00 -3.127228344e+00 2.42 -3.784530348e+00 -3.575572819e+00 -3.246763003e+00 2.44 -3.782302238e+00 -3.632240795e+00 -3.354530320e+00 2.46 -3.773639816e+00 -3.679635298e+00 -3.449758620e+00 2.48 -3.760053996e+00 -3.718327420e+00 -3.533165231e+00 2.50 -3.742171018e+00 -3.748820468e+00 -3.606485148e+00 2.52 -3.720234570e+00 -3.771517242e+00 -3.670583323e+00 2.54 -3.694597158e+00 -3.786733669e+00 -3.725936653e+00 2.56 -3.665622741e+00 -3.794710237e+00 -3.772966138e+00 2.58 -3.633666574e+00 -3.795622954e+00 -3.812049497e+00 2.60 -3.599074039e+00 -3.789625327e+00 -3.843517294e+00 2.62 -3.562170957e+00 -3.776953933e+00 -3.867653123e+00 2.64 -3.523248694e+00 -3.758166296e+00 -3.884699596e+00 2.66 -3.482548747e+00 -3.734448853e+00 -3.894870299e+00 2.68 -3.440237018e+00 -3.707639320e+00 -3.898379191e+00 2.70 -3.396353384e+00 -3.679637844e+00 -3.895495446e+00 2.72 -3.350741842e+00 -3.651787578e+00 -3.886646679e+00 2.74 -3.303002193e+00 -3.624661155e+00 -3.872541294e+00 2.76 -3.252535101e+00 -3.598580131e+00 -3.854163090e+00 2.78 -3.198711287e+00 -3.574014076e+00 -3.832347200e+00 2.80 -3.141226212e+00 -3.551451345e+00 -3.807402307e+00 2.82 -3.080550704e+00 -3.531187510e+00 -3.779533037e+00 2.84 -3.018104544e+00 -3.512953318e+00 -3.749009998e+00 2.86 -2.955995934e+00 -3.495712877e+00 -3.716097886e+00 2.88 -2.895872732e+00 -3.478047500e+00 -3.681055284e+00 2.90 -2.838370817e+00 -3.458790543e+00 -3.644135377e+00 2.92 -2.783705065e+00 -3.437097416e+00 -3.605588738e+00 2.94 -2.731735792e+00 -3.412556108e+00 -3.565665810e+00 2.96 -2.681868044e+00 -3.384968737e+00 -3.524617547e+00 2.98 -2.633284369e+00 -3.354099076e+00 -3.482701390e+00 3.00 -2.585496699e+00 -3.319650843e+00 -3.440175611e+00 3.02 -2.538290584e+00 -3.281295260e+00 -3.397299612e+00 3.04 -2.491336473e+00 -3.238743232e+00 -3.354322975e+00 3.06 -2.444353998e+00 -3.191896409e+00 -3.311464974e+00 3.08 -2.397367727e+00 -3.141092642e+00 -3.268874652e+00 3.10 -2.350518094e+00 -3.087334488e+00 -3.226566026e+00 3.12 -2.303875627e+00 -3.032094524e+00 -3.184330334e+00 3.14 -2.257470721e+00 -2.976455743e+00 -3.141672265e+00 3.16 -2.211325280e+00 -2.920755108e+00 -3.097914933e+00 3.18 -2.165455139e+00 -2.865122207e+00 -3.052658243e+00 3.20 -2.119871133e+00 -2.809694929e+00 -3.006235695e+00 3.22 -2.074574678e+00 -2.754637375e+00 -2.959277839e+00 3.24 -2.029561059e+00 -2.700152323e+00 -2.912083004e+00 3.26 -1.984815503e+00 -2.646490632e+00 -2.864732920e+00 3.28 -1.940313410e+00 -2.593941691e+00 -2.817284283e+00 3.30 -1.896018690e+00 -2.542788246e+00 -2.769781777e+00 3.32 -1.851883030e+00 -2.493232848e+00 -2.722256358e+00 3.34 -1.807846059e+00 -2.445346809e+00 -2.674729548e+00 3.36 -1.763837609e+00 -2.399038264e+00 -2.627230598e+00 3.38 -1.719784430e+00 -2.354010556e+00 -2.579813528e+00 3.40 -1.675624333e+00 -2.309802978e+00 -2.532545072e+00 3.42 -1.631334547e+00 -2.266007923e+00 -2.485472497e+00 3.44 -1.586972864e+00 -2.222475397e+00 -2.438629686e+00 3.46 -1.542721896e+00 -2.179201225e+00 -2.392048303e+00 3.48 -1.498876690e+00 -2.136192979e+00 -2.345756909e+00 3.50 -1.455688905e+00 -2.093451370e+00 -2.299781836e+00 3.52 -1.413264146e+00 -2.050972387e+00 -2.254147062e+00 3.54 -1.371611222e+00 -2.008744762e+00 -2.208874096e+00 3.56 -1.330729752e+00 -1.966749802e+00 -2.163981917e+00 3.58 -1.290620784e+00 -1.924960450e+00 -2.119488529e+00 3.60 -1.251283963e+00 -1.883340724e+00 -2.075407320e+00 3.62 -1.212718583e+00 -1.841845713e+00 -2.031751138e+00 3.64 -1.174923545e+00 -1.800422867e+00 -1.988529273e+00 3.66 -1.137896986e+00 -1.759015814e+00 -1.945748539e+00 3.68 -1.101636944e+00 -1.717572681e+00 -1.903412788e+00 3.70 -1.066141202e+00 -1.676060702e+00 -1.861522835e+00 3.72 -1.031407283e+00 -1.634490953e+00 -1.820076497e+00 3.74 -9.974328474e-01 -1.592944610e+00 -1.779068969e+00 3.76 -9.642151879e-01 -1.551586137e+00 -1.738493911e+00 3.78 -9.317521594e-01 -1.510619062e+00 -1.698345922e+00 3.80 -9.000411300e-01 -1.470233877e+00 -1.658624693e+00 3.82 -8.690802703e-01 -1.430544333e+00 -1.619344023e+00 3.84 -8.388674173e-01 -1.391582389e+00 -1.580543348e+00 3.86 -8.094016795e-01 -1.353357817e+00 -1.542297789e+00 3.88 -7.806810000e-01 -1.315876178e+00 -1.504713032e+00 3.90 -7.527055118e-01 -1.279144096e+00 -1.467893055e+00 3.92 -7.254733327e-01 -1.243167082e+00 -1.431831431e+00 3.94 -6.989852867e-01 -1.207949485e+00 -1.396433304e+00 3.96 -6.732412875e-01 -1.173493743e+00 -1.361618009e+00 3.98 -6.482393444e-01 -1.139799247e+00 -1.327367971e+00 4.00 -6.239816625e-01 -1.106861095e+00 -1.293683772e+00 4.02 -6.004667375e-01 -1.074668367e+00 -1.260565729e+00 4.04 -5.776897225e-01 -1.043202462e+00 -1.228013710e+00 4.06 -5.556488015e-01 -1.012435722e+00 -1.196027672e+00 4.08 -5.343408932e-01 -9.823325337e-01 -1.164607217e+00 4.10 -5.137558474e-01 -9.528539697e-01 -1.133751470e+00 4.12 -4.938640365e-01 -9.239664257e-01 -1.103459688e+00 4.14 -4.744112054e-01 -8.956504476e-01 -1.073730902e+00 4.16 -4.555260503e-01 -8.678997302e-01 -1.044564067e+00 4.18 -4.373796141e-01 -8.407126527e-01 -1.015958085e+00 4.20 -4.200470480e-01 -8.140888867e-01 -9.879117630e-01 4.22 -4.035438299e-01 -7.880275972e-01 -9.604241187e-01 4.24 -3.878589866e-01 -7.625295599e-01 -9.334938799e-01 4.26 -3.729890935e-01 -7.375950054e-01 -9.071200835e-01 4.28 -3.589072021e-01 -7.132261321e-01 -8.813017027e-01 4.30 -3.454204722e-01 -6.894255693e-01 -8.560378346e-01 4.32 -3.324045911e-01 -6.661950662e-01 -8.313281759e-01 4.34 -3.197934655e-01 -6.435405729e-01 -8.071711778e-01 4.36 -3.075932555e-01 -6.214675992e-01 -7.835671352e-01 4.38 -2.958372684e-01 -5.999803217e-01 -7.605147843e-01 4.40 -2.843456902e-01 -5.790866232e-01 -7.380132345e-01 4.42 -2.729906628e-01 -5.587984312e-01 -7.160631218e-01 4.44 -2.616996158e-01 -5.391256401e-01 -6.946621034e-01 4.46 -2.504255282e-01 -5.200497967e-01 -6.738084796e-01 4.48 -2.391177701e-01 -5.013895784e-01 -6.535024074e-01 4.50 -2.276981669e-01 -4.833649750e-01 -6.337398420e-01 4.52 -2.160834882e-01 -4.662066771e-01 -6.145145102e-01 4.54 -2.042508044e-01 -4.500608211e-01 -5.958219934e-01 4.56 -1.922967967e-01 -4.350333303e-01 -5.776566281e-01 4.58 -1.803586689e-01 -4.211914664e-01 -5.600069274e-01 4.60 -1.685797022e-01 -4.080920461e-01 -5.428576148e-01 4.62 -1.570829157e-01 -3.953085308e-01 -5.260582881e-01 4.64 -1.459707863e-01 -3.826937685e-01 -5.095204577e-01 4.66 -1.353288432e-01 -3.703007787e-01 -4.934222154e-01 4.68 -1.252285655e-01 -3.582107780e-01 -4.778635356e-01 4.70 -1.157294519e-01 -3.464897782e-01 -4.628854520e-01 4.72 -1.068801459e-01 -3.351599046e-01 -4.484931960e-01 4.74 -9.871843921e-02 -3.241975242e-01 -4.346816430e-01 4.76 -9.126991861e-02 -3.136399484e-01 -4.214893780e-01 4.78 -8.454501754e-02 -3.033255936e-01 -4.087255097e-01 4.80 -7.853436429e-02 -2.930501189e-01 -3.961689750e-01 4.82 -7.320276590e-02 -2.826568357e-01 -3.836489574e-01 4.84 -6.848321952e-02 -2.720366207e-01 -3.710357746e-01 4.86 -6.427430600e-02 -2.611269645e-01 -3.582347652e-01 4.88 -6.044691904e-02 -2.498962460e-01 -3.452249746e-01 4.90 -5.686688109e-02 -2.383323785e-01 -3.319207397e-01 4.92 -5.343131569e-02 -2.264387873e-01 -3.181322992e-01 4.94 -5.009413585e-02 -2.142317488e-01 -3.037304431e-01 4.96 -4.685109679e-02 -2.017331020e-01 -2.886411724e-01 4.98 -4.370764285e-02 -1.890408699e-01 -2.729276599e-01 5.00 -4.066675724e-02 -1.762918071e-01 -2.567179593e-01 5.02 -3.772867233e-02 -1.636010730e-01 -2.401343144e-01 5.04 -3.489271586e-02 -1.510652186e-01 -2.232933754e-01 5.06 -3.215824430e-02 -1.387650975e-01 -2.063016635e-01 5.08 -2.952478855e-02 -1.267684421e-01 -1.893333924e-01 5.10 -2.699210823e-02 -1.151321438e-01 -1.725713786e-01 5.12 -2.456024249e-02 -1.039042638e-01 -1.561679491e-01 5.14 -2.222955912e-02 -9.312580183e-02 -1.402500461e-01 5.16 -2.000080122e-02 -8.283223855e-02 -1.249236870e-01 5.18 -1.787513105e-02 -7.305486128e-02 -1.102778315e-01 5.20 -1.585416936e-02 -6.382187304e-02 -9.638768596e-02 5.22 -1.394002793e-02 -5.515927251e-02 -8.331745724e-02 5.24 -1.213533136e-02 -4.709147607e-02 -7.112253948e-02 5.26 -1.044322226e-02 -3.964163483e-02 -5.985108758e-02 5.28 -8.867341442e-03 -3.283157482e-02 -4.954489133e-02 5.30 -7.411770945e-03 -2.668126266e-02 -4.023942359e-02 5.32 -6.080923174e-03 -2.120767274e-02 -3.196289344e-02 5.34 -4.879353486e-03 -1.642292161e-02 -2.473411716e-02 5.36 -3.811466804e-03 -1.233155248e-02 -1.855904216e-02 5.38 -2.881082627e-03 -8.926965263e-03 -1.342592301e-02 5.40 -2.090818347e-03 -6.187224652e-03 -9.299499444e-03 5.42 -1.441258164e-03 -4.071002861e-03 -6.115305948e-03 5.44 -9.298979638e-04 -2.515163304e-03 -3.776360778e-03 5.46 -5.499296561e-04 -1.436347017e-03 -2.155762211e-03 5.48 -2.890615605e-04 -7.386713082e-04 -1.108342363e-03 5.50 -1.288223976e-04 -3.264169370e-04 -4.896903034e-04 5.52 -4.510306326e-05 -1.141819658e-04 -1.712806790e-04 5.54 -1.087572615e-05 -2.755244971e-05 -4.132911058e-05 5.56 -1.408504850e-06 -3.571166855e-06 -5.356757370e-06 5.58 -5.740004506e-08 -1.456522690e-07 -2.184784149e-07 5.60 -1.981848413e-10 -5.032908141e-10 -7.549362170e-10 5.62 -6.923184977e-14 -1.759187370e-13 -2.638824237e-13 5.64 -5.855702225e-23 -1.147740530e-22 -1.721610794e-22 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00