# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-Co-Al--LAMMPS--ipr1 # composition = Al3Cr # 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 2025-07-01 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 2.046276054e+02 nan nan 0.92 1.872263669e+02 nan nan 0.94 1.714172021e+02 nan nan 0.96 1.570561895e+02 nan nan 0.98 1.439988124e+02 2.355265663e+02 nan 1.00 1.320963588e+02 2.182428962e+02 nan 1.02 1.212462849e+02 2.022851152e+02 1.723642991e+02 1.04 1.113540668e+02 1.875672036e+02 1.597870545e+02 1.06 1.023311875e+02 1.740011118e+02 1.482121209e+02 1.08 9.409568115e+01 1.614995445e+02 1.375711483e+02 1.10 8.657231318e+01 1.499778888e+02 1.277943074e+02 1.12 7.969250542e+01 1.393554930e+02 1.188124885e+02 1.14 7.339409078e+01 1.295564598e+02 1.105588345e+02 1.16 6.762095793e+01 1.205100777e+02 1.029697611e+02 1.18 6.232263244e+01 1.121509895e+02 9.598559310e+01 1.20 5.745382474e+01 1.044191706e+02 8.955091296e+01 1.22 5.297397269e+01 9.725977545e+01 8.361469537e+01 1.24 4.884679391e+01 9.062289563e+01 7.813028960e+01 1.26 4.503985533e+01 8.446326124e+01 7.305529279e+01 1.28 4.152416883e+01 7.873991070e+01 6.835134931e+01 1.30 3.827381692e+01 7.341584906e+01 6.398390397e+01 1.32 3.526561025e+01 6.845770497e+01 5.992192732e+01 1.34 3.247877735e+01 6.383539658e+01 5.613762909e+01 1.36 2.989468594e+01 5.952181293e+01 5.260617089e+01 1.38 2.749659375e+01 5.549251414e+01 4.930538467e+01 1.40 2.526942760e+01 5.172545359e+01 4.621550398e+01 1.42 2.319958814e+01 4.820072274e+01 4.331891069e+01 1.44 2.127477807e+01 4.490031858e+01 4.059989917e+01 1.46 1.948385139e+01 4.180793299e+01 3.804445951e+01 1.48 1.781668180e+01 3.890876409e+01 3.564008000e+01 1.50 1.626404836e+01 3.618934873e+01 3.337556904e+01 1.52 1.481753569e+01 3.363741295e+01 3.124089530e+01 1.54 1.346944716e+01 3.124173942e+01 2.922704487e+01 1.56 1.221272947e+01 2.899205057e+01 2.732589469e+01 1.58 1.104090720e+01 2.687890598e+01 2.553010098e+01 1.60 9.948025776e+00 2.489361231e+01 2.383300115e+01 1.62 8.928601966e+00 2.302814462e+01 2.222852741e+01 1.64 7.977580658e+00 2.127507772e+01 2.071113189e+01 1.66 7.090297249e+00 1.962752625e+01 1.927572223e+01 1.68 6.262454931e+00 1.807909258e+01 1.791760631e+01 1.70 5.490097734e+00 1.662382135e+01 1.663244461e+01 1.72 4.769566880e+00 1.525615997e+01 1.541620942e+01 1.74 4.097477301e+00 1.397092411e+01 1.426515010e+01 1.76 3.470698117e+00 1.276326662e+01 1.317576344e+01 1.78 2.886335026e+00 1.162865014e+01 1.214476844e+01 1.80 2.341714338e+00 1.056282281e+01 1.116908497e+01 1.82 1.834365851e+00 9.561791816e+00 1.024581558e+01 1.84 1.362001238e+00 8.621805123e+00 9.372230164e+00 1.86 9.224891709e-01 7.739335630e+00 8.545752863e+00 1.88 5.138320047e-01 6.911066962e+00 7.763950916e+00 1.90 1.341555515e-01 6.133880671e+00 7.024525151e+00 1.92 -2.182989028e-01 5.404844611e+00 6.325301792e+00 1.94 -5.451819760e-01 4.721202314e+00 5.664225349e+00 1.96 -8.480430317e-01 4.080362219e+00 5.039352433e+00 1.98 -1.128336530e+00 3.479884606e+00 4.448846263e+00 2.00 -1.387427948e+00 2.917471822e+00 3.890971770e+00 2.02 -1.626599279e+00 2.390960811e+00 3.364090918e+00 2.04 -1.847053839e+00 1.898314928e+00 2.866655798e+00 2.06 -2.049918573e+00 1.437621704e+00 2.397205823e+00 2.08 -2.236250664e+00 1.007080745e+00 1.954359403e+00 2.10 -2.407043380e+00 6.049935939e-01 1.536807258e+00 2.12 -2.563229919e+00 2.297586944e-01 1.143309476e+00 2.14 -2.705687014e+00 -1.201334040e-01 7.726926665e-01 2.16 -2.835238321e+00 -4.461046587e-01 4.238471610e-01 2.18 -2.952657612e+00 -7.494939573e-01 9.572427913e-02 2.20 -3.058671771e+00 -1.031561378e+00 -2.126663633e-01 2.22 -3.153963628e+00 -1.293492285e+00 -5.022594943e-01 2.24 -3.239174622e+00 -1.536401271e+00 -7.739367865e-01 2.26 -3.314907868e+00 -1.761337416e+00 -1.028531572e+00 2.28 -3.381732439e+00 -1.969293583e+00 -1.266838914e+00 2.30 -3.440186186e+00 -2.161212891e+00 -1.489620359e+00 2.32 -3.490777631e+00 -2.337989590e+00 -1.697605485e+00 2.34 -3.533987759e+00 -2.500471134e+00 -1.891493285e+00 2.36 -3.570309368e+00 -2.649460693e+00 -2.071953483e+00 2.38 -3.600312706e+00 -2.785719520e+00 -2.239627778e+00 2.40 -3.624538545e+00 -2.909969183e+00 -2.395131013e+00 2.42 -3.643479307e+00 -3.022893679e+00 -2.539052293e+00 2.44 -3.657583527e+00 -3.125141418e+00 -2.671956036e+00 2.46 -3.667259914e+00 -3.217327108e+00 -2.794382976e+00 2.48 -3.672881043e+00 -3.300033519e+00 -2.906851121e+00 2.50 -3.674786715e+00 -3.373821753e+00 -3.009856657e+00 2.52 -3.673287012e+00 -3.439255981e+00 -3.103874814e+00 2.54 -3.668665065e+00 -3.496874212e+00 -3.189360697e+00 2.56 -3.661179574e+00 -3.547180974e+00 -3.266750077e+00 2.58 -3.651067094e+00 -3.590649545e+00 -3.336460140e+00 2.60 -3.638544108e+00 -3.627724014e+00 -3.398890225e+00 2.62 -3.623808909e+00 -3.658821263e+00 -3.454422606e+00 2.64 -3.607043303e+00 -3.684334026e+00 -3.503425075e+00 2.66 -3.588414153e+00 -3.704632216e+00 -3.546251080e+00 2.68 -3.568074785e+00 -3.720063119e+00 -3.583238311e+00 2.70 -3.546166248e+00 -3.730952814e+00 -3.614709271e+00 2.72 -3.522818463e+00 -3.737607559e+00 -3.640971909e+00 2.74 -3.498151262e+00 -3.740315065e+00 -3.662320213e+00 2.76 -3.472275327e+00 -3.739345694e+00 -3.679034791e+00 2.78 -3.445293034e+00 -3.734953570e+00 -3.691383422e+00 2.80 -3.417299223e+00 -3.727377611e+00 -3.699621588e+00 2.82 -3.388381886e+00 -3.716842496e+00 -3.703992982e+00 2.84 -3.358622797e+00 -3.703559563e+00 -3.704729994e+00 2.86 -3.328098069e+00 -3.687727645e+00 -3.702054186e+00 2.88 -3.296881198e+00 -3.669540598e+00 -3.696186735e+00 2.90 -3.265057985e+00 -3.649226610e+00 -3.687405996e+00 2.92 -3.232714252e+00 -3.627015018e+00 -3.675997774e+00 2.94 -3.199928163e+00 -3.603115467e+00 -3.662223933e+00 2.96 -3.166770895e+00 -3.577719411e+00 -3.646324126e+00 2.98 -3.133307287e+00 -3.551001582e+00 -3.628517517e+00 3.00 -3.099596420e+00 -3.523121338e+00 -3.609004386e+00 3.02 -3.065692154e+00 -3.494223916e+00 -3.587967605e+00 3.04 -3.031643608e+00 -3.464441581e+00 -3.565574019e+00 3.06 -2.997495597e+00 -3.433894703e+00 -3.541975716e+00 3.08 -2.963289033e+00 -3.402692775e+00 -3.517311206e+00 3.10 -2.929061282e+00 -3.370935221e+00 -3.491706520e+00 3.12 -2.894846493e+00 -3.338712315e+00 -3.465276218e+00 3.14 -2.860675891e+00 -3.306105933e+00 -3.438124323e+00 3.16 -2.826578044e+00 -3.273190254e+00 -3.410345196e+00 3.18 -2.792579108e+00 -3.240032425e+00 -3.382024331e+00 3.20 -2.758703036e+00 -3.206693152e+00 -3.353239098e+00 3.22 -2.724971782e+00 -3.173227263e+00 -3.324059431e+00 3.24 -2.691405475e+00 -3.139684211e+00 -3.294548458e+00 3.26 -2.658022575e+00 -3.106108545e+00 -3.264763086e+00 3.28 -2.624840019e+00 -3.072540336e+00 -3.234754542e+00 3.30 -2.591873346e+00 -3.039015577e+00 -3.204568870e+00 3.32 -2.559136813e+00 -3.005566540e+00 -3.174247388e+00 3.34 -2.526643497e+00 -2.972222108e+00 -3.143827116e+00 3.36 -2.494405388e+00 -2.939008083e+00 -3.113341160e+00 3.38 -2.462433467e+00 -2.905947460e+00 -3.082819072e+00 3.40 -2.430737784e+00 -2.873060680e+00 -3.052287181e+00 3.42 -2.399327517e+00 -2.840365871e+00 -3.021768895e+00 3.44 -2.368211037e+00 -2.807879049e+00 -2.991284981e+00 3.46 -2.337395954e+00 -2.775614323e+00 -2.960853816e+00 3.48 -2.306889167e+00 -2.743584066e+00 -2.930465381e+00 3.50 -2.276696905e+00 -2.711799078e+00 -2.899492555e+00 3.52 -2.246824760e+00 -2.680268735e+00 -2.866429529e+00 3.54 -2.217277730e+00 -2.649001121e+00 -2.834109085e+00 3.56 -2.188060241e+00 -2.618003156e+00 -2.804294801e+00 3.58 -2.159176178e+00 -2.587280701e+00 -2.774608056e+00 3.60 -2.130628915e+00 -2.556838665e+00 -2.745055719e+00 3.62 -2.102421334e+00 -2.526681100e+00 -2.715643686e+00 3.64 -2.074555850e+00 -2.496811279e+00 -2.686376991e+00 3.66 -2.047034433e+00 -2.467231785e+00 -2.657259907e+00 3.68 -2.019858629e+00 -2.437944573e+00 -2.628296043e+00 3.70 -1.993029578e+00 -2.408951042e+00 -2.599488424e+00 3.72 -1.966548034e+00 -2.380252096e+00 -2.570839567e+00 3.74 -1.940414382e+00 -2.351848196e+00 -2.542351553e+00 3.76 -1.914628655e+00 -2.323739417e+00 -2.514026084e+00 3.78 -1.889190549e+00 -2.295925492e+00 -2.485864541e+00 3.80 -1.864099435e+00 -2.268405862e+00 -2.457868031e+00 3.82 -1.839354372e+00 -2.241179709e+00 -2.430037435e+00 3.84 -1.814954115e+00 -2.214246003e+00 -2.402373442e+00 3.86 -1.790897118e+00 -2.187603528e+00 -2.374876586e+00 3.88 -1.767181537e+00 -2.161250921e+00 -2.347547280e+00 3.90 -1.743805233e+00 -2.135186691e+00 -2.320385837e+00 3.92 -1.720765756e+00 -2.109409251e+00 -2.293392497e+00 3.94 -1.698060343e+00 -2.083916931e+00 -2.266567448e+00 3.96 -1.675685898e+00 -2.058707996e+00 -2.239910842e+00 3.98 -1.653638977e+00 -2.033780654e+00 -2.213422811e+00 4.00 -1.631915762e+00 -2.009133064e+00 -2.187103482e+00 4.02 -1.608935378e+00 -1.984763331e+00 -2.160952984e+00 4.04 -1.558040392e+00 -1.960669504e+00 -2.134971460e+00 4.06 -1.316449125e+00 -1.936849557e+00 -2.109159073e+00 4.08 -1.141920588e+00 -1.913301381e+00 -2.083516015e+00 4.10 -1.123134938e+00 -1.890022751e+00 -2.058042506e+00 4.12 -1.106923640e+00 -1.867011304e+00 -2.032738803e+00 4.14 -1.090947380e+00 -1.844264508e+00 -2.007605199e+00 4.16 -1.075202775e+00 -1.821779625e+00 -1.982642026e+00 4.18 -1.059686467e+00 -1.799553682e+00 -1.957849655e+00 4.20 -1.044395126e+00 -1.777583433e+00 -1.933228497e+00 4.22 -1.029325455e+00 -1.755865334e+00 -1.908779000e+00 4.24 -1.014474189e+00 -1.734395515e+00 -1.884501650e+00 4.26 -9.998381002e-01 -1.712819015e+00 -1.860396968e+00 4.28 -9.854139986e-01 -1.684113024e+00 -1.836465509e+00 4.30 -9.711987342e-01 -1.628009687e+00 -1.812707860e+00 4.32 -9.571891984e-01 -1.525647371e+00 -1.789124633e+00 4.34 -9.433823247e-01 -1.477785615e+00 -1.765716469e+00 4.36 -9.297750902e-01 -1.460852870e+00 -1.742484029e+00 4.38 -9.163645156e-01 -1.444009880e+00 -1.719427995e+00 4.40 -9.024863610e-01 -1.427259538e+00 -1.696549063e+00 4.42 -8.755430248e-01 -1.410604637e+00 -1.673847943e+00 4.44 -7.823714444e-01 -1.394047839e+00 -1.651325353e+00 4.46 -5.639642668e-01 -1.377591659e+00 -1.628982017e+00 4.48 -4.791821953e-01 -1.361238454e+00 -1.606818662e+00 4.50 -4.737889353e-01 -1.344990417e+00 -1.584836013e+00 4.52 -4.684219591e-01 -1.328849579e+00 -1.563034792e+00 4.54 -4.630817599e-01 -1.312817814e+00 -1.541415713e+00 4.56 -4.577688336e-01 -1.296896849e+00 -1.519979479e+00 4.58 -4.524836777e-01 -1.281088275e+00 -1.498726779e+00 4.60 -4.472267896e-01 -1.265393552e+00 -1.477658289e+00 4.62 -4.419986663e-01 -1.249814030e+00 -1.456774661e+00 4.64 -4.367998025e-01 -1.234350953e+00 -1.436076529e+00 4.66 -4.316306903e-01 -1.219005472e+00 -1.415564500e+00 4.68 -4.264918174e-01 -1.203778655e+00 -1.395239158e+00 4.70 -4.213836669e-01 -1.188671497e+00 -1.375101054e+00 4.72 -4.163067156e-01 -1.173684921e+00 -1.355150709e+00 4.74 -4.112614339e-01 -1.158819793e+00 -1.335388614e+00 4.76 -4.062482844e-01 -1.144076919e+00 -1.315815222e+00 4.78 -4.012677213e-01 -1.129457053e+00 -1.296430950e+00 4.80 -3.963201897e-01 -1.114960899e+00 -1.277236178e+00 4.82 -3.914061249e-01 -1.100589115e+00 -1.258231247e+00 4.84 -3.865259516e-01 -1.086342311e+00 -1.239416455e+00 4.86 -3.816800835e-01 -1.072221054e+00 -1.220792061e+00 4.88 -3.768689225e-01 -1.058225867e+00 -1.202358279e+00 4.90 -3.720928586e-01 -1.044357229e+00 -1.184115281e+00 4.92 -3.664771436e-01 -1.028707342e+00 -1.163794993e+00 4.94 -3.488766259e-01 -9.867096844e-01 -1.112393253e+00 4.96 -2.904184957e-01 -8.492227707e-01 -9.501513089e-01 4.98 -1.562908217e-01 -4.984697844e-01 -5.494188442e-01 5.00 -1.866094179e-22 -4.145002854e-22 -3.014803731e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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