# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Mishin-Y--Ni-Al # implementation = 2004--Mishin-Y--Ni-Al--LAMMPS--ipr2 # 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 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 2.009238603e+02 nan nan 1.04 1.866222126e+02 nan nan 1.06 1.733702104e+02 nan nan 1.08 1.610816551e+02 nan nan 1.10 1.496786232e+02 2.095806064e+02 nan 1.12 1.390919904e+02 nan nan 1.14 1.292606354e+02 1.829301162e+02 2.024505138e+02 1.16 1.201285578e+02 1.709458174e+02 1.894905028e+02 1.18 1.116433689e+02 1.597700076e+02 1.773966261e+02 1.20 1.037567597e+02 1.493467496e+02 1.661053067e+02 1.22 9.642472720e+01 1.396220496e+02 1.555590312e+02 1.24 8.960687690e+01 1.305438390e+02 1.457046875e+02 1.26 8.326590101e+01 1.220626145e+02 1.364908765e+02 1.28 7.736715310e+01 1.141336879e+02 1.278687792e+02 1.30 7.187786005e+01 1.067184231e+02 1.197948808e+02 1.32 6.676708254e+01 9.978119989e+01 1.122308577e+02 1.34 6.203491219e+01 9.328878559e+01 1.051421364e+02 1.36 5.766535413e+01 8.721156750e+01 9.849780100e+01 1.38 5.362372328e+01 8.152254282e+01 9.226961326e+01 1.40 4.968538128e+01 7.619608634e+01 8.643082365e+01 1.42 4.569846094e+01 7.120851731e+01 8.095642531e+01 1.44 4.179618755e+01 6.653849834e+01 7.582271221e+01 1.46 3.807575275e+01 6.218986239e+01 7.100713407e+01 1.48 3.460418447e+01 5.815138999e+01 6.648887616e+01 1.50 3.139039188e+01 5.439423821e+01 6.226967255e+01 1.52 2.841598471e+01 5.081193027e+01 5.834238987e+01 1.54 2.566460598e+01 4.716604314e+01 5.468146332e+01 1.56 2.312167920e+01 4.354526714e+01 5.121932163e+01 1.58 2.077349569e+01 4.003800093e+01 4.769969892e+01 1.60 1.860698567e+01 3.670954674e+01 4.418043638e+01 1.62 1.660998635e+01 3.359979333e+01 4.075126541e+01 1.64 1.477097372e+01 3.070307880e+01 3.748036317e+01 1.66 1.307877264e+01 2.800671017e+01 3.441515406e+01 1.68 1.152264888e+01 2.549875792e+01 3.155738341e+01 1.70 1.009243584e+01 2.316795407e+01 2.889298725e+01 1.72 8.778797613e+00 2.100356553e+01 2.640894762e+01 1.74 7.573288610e+00 1.899530214e+01 2.409353656e+01 1.76 6.467939037e+00 1.713342922e+01 2.193641191e+01 1.78 5.454934910e+00 1.540871068e+01 1.992797563e+01 1.80 4.526637733e+00 1.381212693e+01 1.805883620e+01 1.82 3.675886311e+00 1.233492632e+01 1.631963435e+01 1.84 2.896310394e+00 1.096861735e+01 1.470120070e+01 1.86 2.182370419e+00 9.704936260e+00 1.319512862e+01 1.88 1.529171071e+00 8.535850899e+00 1.179424065e+01 1.90 9.322973597e-01 7.453586115e+00 1.049229541e+01 1.92 3.876081619e-01 6.450788112e+00 9.283324189e+00 1.94 -1.088776209e-01 5.520786304e+00 8.161565943e+00 1.96 -5.609944432e-01 4.657865944e+00 7.121537762e+00 1.98 -9.723238837e-01 3.857267796e+00 6.157939160e+00 2.00 -1.346041563e+00 3.114933010e+00 5.265636498e+00 2.02 -1.684857399e+00 2.427157228e+00 4.439787200e+00 2.04 -1.991163750e+00 1.790517555e+00 3.675952676e+00 2.06 -2.267193402e+00 1.201949734e+00 2.970064317e+00 2.08 -2.515058410e+00 6.587327473e-01 2.318280687e+00 2.10 -2.736761337e+00 1.583499903e-01 1.716956253e+00 2.12 -2.934190355e+00 -3.016032573e-01 1.162697690e+00 2.14 -3.109102465e+00 -7.234786457e-01 6.523900656e-01 2.16 -3.263115940e+00 -1.109611496e+00 1.831049433e-01 2.18 -3.397677130e+00 -1.462280811e+00 -2.480097665e-01 2.20 -3.514045494e+00 -1.783616367e+00 -6.437246372e-01 2.22 -3.613385328e+00 -2.075509168e+00 -1.006633589e+00 2.24 -3.696903720e+00 -2.339622393e+00 -1.339052341e+00 2.26 -3.765874505e+00 -2.577414250e+00 -1.642957082e+00 2.28 -3.821541875e+00 -2.790224201e+00 -1.920081441e+00 2.30 -3.865088505e+00 -2.979373149e+00 -2.172048523e+00 2.32 -3.897627162e+00 -3.146165020e+00 -2.400410390e+00 2.34 -3.920198578e+00 -3.291877636e+00 -2.606663909e+00 2.36 -3.933770074e+00 -3.417757925e+00 -2.792248990e+00 2.38 -3.939235032e+00 -3.525016726e+00 -2.958542398e+00 2.40 -3.937416680e+00 -3.614831159e+00 -3.106865619e+00 2.42 -3.929092606e+00 -3.688412194e+00 -3.238508321e+00 2.44 -3.914987407e+00 -3.747083583e+00 -3.354750497e+00 2.46 -3.895691407e+00 -3.792278982e+00 -3.456876462e+00 2.48 -3.871632235e+00 -3.825459015e+00 -3.546176165e+00 2.50 -3.843110827e+00 -3.848062495e+00 -3.623876101e+00 2.52 -3.810341590e+00 -3.861494957e+00 -3.691077602e+00 2.54 -3.773511430e+00 -3.867114574e+00 -3.748694215e+00 2.56 -3.732827341e+00 -3.866187438e+00 -3.797429206e+00 2.58 -3.688537490e+00 -3.859853168e+00 -3.837849569e+00 2.60 -3.640951386e+00 -3.849116365e+00 -3.870482185e+00 2.62 -3.590455188e+00 -3.834816981e+00 -3.895826307e+00 2.64 -3.537482146e+00 -3.817612741e+00 -3.914349701e+00 2.66 -3.482461397e+00 -3.798015585e+00 -3.926491556e+00 2.68 -3.425808238e+00 -3.776396505e+00 -3.932666752e+00 2.70 -3.367921126e+00 -3.752997231e+00 -3.933269964e+00 2.72 -3.309179162e+00 -3.727983252e+00 -3.928673434e+00 2.74 -3.249940233e+00 -3.701472404e+00 -3.919217380e+00 2.76 -3.190540102e+00 -3.673545121e+00 -3.905208665e+00 2.78 -3.131292579e+00 -3.644260155e+00 -3.886927129e+00 2.80 -3.072490989e+00 -3.613672009e+00 -3.864637507e+00 2.82 -3.014411031e+00 -3.581841321e+00 -3.838595638e+00 2.84 -2.957315041e+00 -3.548824335e+00 -3.809056925e+00 2.86 -2.901454336e+00 -3.514674478e+00 -3.776285748e+00 2.88 -2.847047947e+00 -3.479452435e+00 -3.740562360e+00 2.90 -2.794248065e+00 -3.443227308e+00 -3.702190284e+00 2.92 -2.743132197e+00 -3.406057166e+00 -3.661504305e+00 2.94 -2.693707367e+00 -3.367984633e+00 -3.618867648e+00 2.96 -2.645917842e+00 -3.329044122e+00 -3.574635093e+00 2.98 -2.599665596e+00 -3.289266644e+00 -3.529119925e+00 3.00 -2.554825442e+00 -3.248682696e+00 -3.482588556e+00 3.02 -2.511250232e+00 -3.207325304e+00 -3.435256010e+00 3.04 -2.468776358e+00 -3.165233275e+00 -3.387290823e+00 3.06 -2.427235604e+00 -3.122452970e+00 -3.338840109e+00 3.08 -2.386463065e+00 -3.079033068e+00 -3.290036726e+00 3.10 -2.346302918e+00 -3.035023037e+00 -3.241000423e+00 3.12 -2.306613214e+00 -2.990476610e+00 -3.191839221e+00 3.14 -2.267269708e+00 -2.945456221e+00 -3.142651175e+00 3.16 -2.228169226e+00 -2.900038024e+00 -3.093526515e+00 3.18 -2.189232825e+00 -2.854311616e+00 -3.044550257e+00 3.20 -2.150407612e+00 -2.808368093e+00 -2.995805260e+00 3.22 -2.111667842e+00 -2.762293487e+00 -2.947375659e+00 3.24 -2.073015484e+00 -2.716168736e+00 -2.899345066e+00 3.26 -2.034473755e+00 -2.670070735e+00 -2.851781859e+00 3.28 -1.996071521e+00 -2.624071975e+00 -2.804733571e+00 3.30 -1.957839029e+00 -2.578237067e+00 -2.758226979e+00 3.32 -1.919807278e+00 -2.532622797e+00 -2.712268814e+00 3.34 -1.882007316e+00 -2.487279894e+00 -2.666847032e+00 3.36 -1.844469403e+00 -2.442254803e+00 -2.621932541e+00 3.38 -1.807222210e+00 -2.397591575e+00 -2.577481530e+00 3.40 -1.770293630e+00 -2.353336932e+00 -2.533441631e+00 3.42 -1.733712363e+00 -2.309544072e+00 -2.489759845e+00 3.44 -1.697507645e+00 -2.266262457e+00 -2.446386375e+00 3.46 -1.661708622e+00 -2.223532121e+00 -2.403277571e+00 3.48 -1.626343637e+00 -2.181383446e+00 -2.360398462e+00 3.50 -1.591439485e+00 -2.139836201e+00 -2.317724958e+00 3.52 -1.557020626e+00 -2.098899559e+00 -2.275245914e+00 3.54 -1.523108337e+00 -2.058575745e+00 -2.232964528e+00 3.56 -1.489719871e+00 -2.018871873e+00 -2.190899124e+00 3.58 -1.456867581e+00 -1.979796492e+00 -2.149083637e+00 3.60 -1.424558057e+00 -1.941354584e+00 -2.107567878e+00 3.62 -1.392792200e+00 -1.903547719e+00 -2.066417617e+00 3.64 -1.361567555e+00 -1.866374466e+00 -2.025714292e+00 3.66 -1.330876903e+00 -1.829830821e+00 -1.985548439e+00 3.68 -1.300707989e+00 -1.793910653e+00 -1.946010148e+00 3.70 -1.271044040e+00 -1.758606122e+00 -1.907186246e+00 3.72 -1.241864262e+00 -1.723908100e+00 -1.869159329e+00 3.74 -1.213144315e+00 -1.689806538e+00 -1.832007547e+00 3.76 -1.184857635e+00 -1.656290800e+00 -1.795804462e+00 3.78 -1.156978585e+00 -1.623349956e+00 -1.760616974e+00 3.80 -1.129483715e+00 -1.590973020e+00 -1.726496928e+00 3.82 -1.102352041e+00 -1.559149127e+00 -1.693477365e+00 3.84 -1.075565264e+00 -1.527867677e+00 -1.661572395e+00 3.86 -1.049107942e+00 -1.497118405e+00 -1.630777175e+00 3.88 -1.022967631e+00 -1.466891413e+00 -1.601067899e+00 3.90 -9.971349488e-01 -1.437177144e+00 -1.572402115e+00 3.92 -9.716036357e-01 -1.407966318e+00 -1.544724594e+00 3.94 -9.463705362e-01 -1.379249810e+00 -1.517975537e+00 3.96 -9.214355581e-01 -1.351018508e+00 -1.492092344e+00 3.98 -8.968015933e-01 -1.323263120e+00 -1.467010386e+00 4.00 -8.724743696e-01 -1.295973951e+00 -1.442663721e+00 4.02 -8.484621401e-01 -1.269140663e+00 -1.418985812e+00 4.04 -8.247747449e-01 -1.242751994e+00 -1.395910167e+00 4.06 -8.014228753e-01 -1.216795480e+00 -1.373370973e+00 4.08 -7.784177756e-01 -1.191257136e+00 -1.351303655e+00 4.10 -7.557709526e-01 -1.166121145e+00 -1.329645407e+00 4.12 -7.334938936e-01 -1.141369528e+00 -1.308335667e+00 4.14 -7.115977836e-01 -1.116982071e+00 -1.287316547e+00 4.16 -6.900932288e-01 -1.092938219e+00 -1.266533208e+00 4.18 -6.689899633e-01 -1.069218849e+00 -1.245934185e+00 4.20 -6.482966014e-01 -1.045806524e+00 -1.225471683e+00 4.22 -6.280205022e-01 -1.022685604e+00 -1.205101792e+00 4.24 -6.081681271e-01 -9.998423392e-01 -1.184784689e+00 4.26 -5.887451405e-01 -9.772649437e-01 -1.164484775e+00 4.28 -5.697563405e-01 -9.549436495e-01 -1.144170780e+00 4.30 -5.512055858e-01 -9.328707397e-01 -1.123815819e+00 4.32 -5.330957565e-01 -9.110405628e-01 -1.103397417e+00 4.34 -5.154287252e-01 -8.894494882e-01 -1.082897491e+00 4.36 -4.982053427e-01 -8.680955486e-01 -1.062302302e+00 4.38 -4.814254450e-01 -8.469779378e-01 -1.041602371e+00 4.40 -4.650878700e-01 -8.260968591e-01 -1.020792365e+00 4.42 -4.491904934e-01 -8.054534385e-01 -9.998709607e-01 4.44 -4.337302815e-01 -7.850496231e-01 -9.788406693e-01 4.46 -4.187033556e-01 -7.648880972e-01 -9.577076484e-01 4.48 -4.041050721e-01 -7.449721867e-01 -9.364814660e-01 4.50 -3.899301062e-01 -7.253057251e-01 -9.151748262e-01 4.52 -3.761725445e-01 -7.058926687e-01 -8.938033077e-01 4.54 -3.628260113e-01 -6.867367750e-01 -8.723850421e-01 4.56 -3.498838217e-01 -6.678413985e-01 -8.509400442e-01 4.58 -3.373390559e-01 -6.492096631e-01 -8.294896142e-01 4.60 -3.251846805e-01 -6.308446905e-01 -8.080559566e-01 4.62 -3.134138171e-01 -6.127495941e-01 -7.866618492e-01 4.64 -3.020197432e-01 -5.949274364e-01 -7.653302916e-01 4.66 -2.909955851e-01 -5.773812031e-01 -7.440841560e-01 4.68 -2.803340687e-01 -5.601137661e-01 -7.229458527e-01 4.70 -2.700271070e-01 -5.431278630e-01 -7.019369963e-01 4.72 -2.600664182e-01 -5.264260686e-01 -6.810782446e-01 4.74 -2.504430057e-01 -5.100107725e-01 -6.603893635e-01 4.76 -2.411479052e-01 -4.938841620e-01 -6.398890711e-01 4.78 -2.321714479e-01 -4.780482026e-01 -6.195949400e-01 4.80 -2.235042913e-01 -4.625046222e-01 -5.995238663e-01 4.82 -2.151364703e-01 -4.472548986e-01 -5.796923365e-01 4.84 -2.070584076e-01 -4.323002524e-01 -5.601163561e-01 4.86 -1.992602659e-01 -4.176416500e-01 -5.408113617e-01 4.88 -1.917318996e-01 -4.032797997e-01 -5.217921506e-01 4.90 -1.844639430e-01 -3.892151256e-01 -5.030728135e-01 4.92 -1.774468596e-01 -3.754477861e-01 -4.846666829e-01 4.94 -1.706713615e-01 -3.619777284e-01 -4.665862901e-01 4.96 -1.641289573e-01 -3.488046293e-01 -4.488433299e-01 4.98 -1.578100838e-01 -3.359278973e-01 -4.314486385e-01 5.00 -1.517048879e-01 -3.233468496e-01 -4.144121826e-01 5.02 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