# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Lee-B-J-Shim-J-H--Cu-Ni # implementation = 2004--Lee-B-J--Cu-Ni--LAMMPS--ipr1 # composition = Cu3Ni # 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 5.013826897e+02 nan nan 0.80 4.650983020e+02 nan nan 0.82 4.313138556e+02 nan nan 0.84 3.998618341e+02 4.710437191e+02 nan 0.86 3.705857514e+02 4.396579602e+02 5.008347893e+02 0.88 3.433394321e+02 4.102509167e+02 4.687672467e+02 0.90 3.179863389e+02 3.827020738e+02 4.386356793e+02 0.92 2.943989435e+02 3.568980657e+02 4.103276791e+02 0.94 2.724581393e+02 3.327322607e+02 3.837371639e+02 0.96 2.520526914e+02 3.101043701e+02 3.587640315e+02 0.98 2.330787228e+02 2.889200788e+02 3.353138311e+02 1.00 2.154392342e+02 2.690906980e+02 3.132974533e+02 1.02 1.990436543e+02 2.505328371e+02 2.926308358e+02 1.04 1.838074204e+02 2.331680940e+02 2.732346858e+02 1.06 1.696515852e+02 2.169227643e+02 2.550342167e+02 1.08 1.565024494e+02 2.017275657e+02 2.379588993e+02 1.10 1.442912187e+02 1.875173794e+02 2.219422259e+02 1.12 1.329536826e+02 1.742310056e+02 2.069214880e+02 1.14 1.224299136e+02 1.618109334e+02 1.928375654e+02 1.16 1.126639871e+02 1.502031240e+02 1.796347262e+02 1.18 1.036037185e+02 1.393568061e+02 1.672604392e+02 1.20 9.520041751e+01 1.292242831e+02 1.556651949e+02 1.22 8.740865882e+01 1.197607520e+02 1.448023368e+02 1.24 8.018606739e+01 1.109241318e+02 1.346279023e+02 1.26 7.349311764e+01 1.026749027e+02 1.251004714e+02 1.28 6.729294579e+01 9.497595420e+01 1.161810247e+02 1.30 6.155117441e+01 8.779244192e+01 1.078328078e+02 1.32 5.623574829e+01 8.109165315e+01 1.000212047e+02 1.34 5.131678107e+01 7.484287971e+01 9.271361648e+01 1.36 4.676641181e+01 6.901729861e+01 8.587934816e+01 1.38 4.255867091e+01 6.358785938e+01 7.948950061e+01 1.40 3.866935477e+01 5.852917817e+01 7.351686910e+01 1.42 3.507590859e+01 5.381743790e+01 6.793584705e+01 1.44 3.175731687e+01 4.943029434e+01 6.272233527e+01 1.46 2.869400101e+01 4.534678764e+01 5.785365619e+01 1.48 2.586772361e+01 4.154725903e+01 5.330847276e+01 1.50 2.326149906e+01 3.801327248e+01 4.906671194e+01 1.52 2.085950989e+01 3.472754088e+01 4.510949229e+01 1.54 1.864702874e+01 3.167385663e+01 4.141905579e+01 1.56 1.661034526e+01 2.883702625e+01 3.797870321e+01 1.58 1.473669800e+01 2.620280898e+01 3.477273330e+01 1.60 1.301421060e+01 2.375785879e+01 3.178638522e+01 1.62 1.143183230e+01 2.148967006e+01 2.900578424e+01 1.64 9.979282264e+00 1.938652632e+01 2.641789050e+01 1.66 8.646997663e+00 1.743745209e+01 2.401045062e+01 1.68 7.426085107e+00 1.563216754e+01 2.177195202e+01 1.70 6.308275319e+00 1.396104592e+01 1.969157981e+01 1.72 5.285880796e+00 1.241507346e+01 1.775917615e+01 1.74 4.351756269e+00 1.098581168e+01 1.596520182e+01 1.76 3.499261787e+00 9.665361998e+00 1.430070005e+01 1.78 2.722228240e+00 8.446332346e+00 1.275726234e+01 1.80 2.014925186e+00 7.321805934e+00 1.132699625e+01 1.82 1.372030804e+00 6.285311759e+00 1.000249498e+01 1.84 7.886038576e-01 5.330796972e+00 8.776808756e+00 1.86 2.600575232e-01 4.452600858e+00 7.643417742e+00 1.88 -2.178650294e-01 3.645430419e+00 6.596206600e+00 1.90 -6.491134266e-01 2.904337413e+00 5.629440443e+00 1.92 -1.037351351e+00 2.224696786e+00 4.737742186e+00 1.94 -1.385976375e+00 1.602186419e+00 3.916071204e+00 1.96 -1.698138462e+00 1.032768092e+00 3.159703200e+00 1.98 -1.976757219e+00 5.126696210e-01 2.464211260e+00 2.00 -2.224537990e+00 3.836806492e-02 1.825447964e+00 2.02 -2.443986855e+00 -3.934260218e-01 1.239528579e+00 2.04 -2.637424623e+00 -7.857833965e-01 7.028151801e-01 2.06 -2.806999865e+00 -1.141570006e+00 2.119017326e-01 2.08 -2.954701070e+00 -1.463460031e+00 -2.363999875e-01 2.10 -3.082367971e+00 -1.753948122e+00 -6.450736299e-01 2.12 -3.191702091e+00 -2.015360874e+00 -1.016910746e+00 2.14 -3.284276583e+00 -2.249867609e+00 -1.354522531e+00 2.16 -3.361545379e+00 -2.459490479e+00 -1.660350872e+00 2.18 -3.424851725e+00 -2.646113948e+00 -1.936678755e+00 2.20 -3.475436119e+00 -2.811493687e+00 -2.185640047e+00 2.22 -3.514443709e+00 -2.957264914e+00 -2.409228719e+00 2.24 -3.542931172e+00 -3.084950211e+00 -2.609307498e+00 2.26 -3.561873123e+00 -3.195966862e+00 -2.787616028e+00 2.28 -3.572168076e+00 -3.291633724e+00 -2.945778533e+00 2.30 -3.574643993e+00 -3.373177670e+00 -3.085311030e+00 2.32 -3.570063441e+00 -3.441739624e+00 -3.207628105e+00 2.34 -3.559128391e+00 -3.498380225e+00 -3.314049287e+00 2.36 -3.542484681e+00 -3.544085124e+00 -3.405805043e+00 2.38 -3.520726167e+00 -3.579769948e+00 -3.484042403e+00 2.40 -3.494398576e+00 -3.606284955e+00 -3.549830258e+00 2.42 -3.464003090e+00 -3.624419384e+00 -3.604164323e+00 2.44 -3.429999679e+00 -3.634905539e+00 -3.647971815e+00 2.46 -3.392810190e+00 -3.638422602e+00 -3.682115832e+00 2.48 -3.352821222e+00 -3.635600209e+00 -3.707399480e+00 2.50 -3.310386792e+00 -3.627021793e+00 -3.724569733e+00 2.52 -3.265830813e+00 -3.613227711e+00 -3.734321071e+00 2.54 -3.219449391e+00 -3.594718179e+00 -3.737298882e+00 2.56 -3.171512955e+00 -3.571956000e+00 -3.734102662e+00 2.58 -3.122268240e+00 -3.545369132e+00 -3.725289019e+00 2.60 -3.071940116e+00 -3.515353082e+00 -3.711374482e+00 2.62 -3.020733293e+00 -3.482273141e+00 -3.692838147e+00 2.64 -2.968833893e+00 -3.446466477e+00 -3.670124150e+00 2.66 -2.916410917e+00 -3.408244094e+00 -3.643643989e+00 2.68 -2.863617593e+00 -3.367892654e+00 -3.613778699e+00 2.70 -2.810592630e+00 -3.325676188e+00 -3.580880895e+00 2.72 -2.757461384e+00 -3.281837685e+00 -3.545276677e+00 2.74 -2.704336923e+00 -3.236600583e+00 -3.507267425e+00 2.76 -2.651321029e+00 -3.190170157e+00 -3.467131475e+00 2.78 -2.598505115e+00 -3.142734817e+00 -3.425125971e+00 2.80 -2.545971072e+00 -3.094467316e+00 -3.381490305e+00 2.82 -2.493792060e+00 -3.045525880e+00 -3.336445011e+00 2.84 -2.442033232e+00 -2.996055259e+00 -3.290179455e+00 2.86 -2.390752404e+00 -2.946187710e+00 -3.242882591e+00 2.88 -2.340000675e+00 -2.896043914e+00 -3.194726347e+00 2.90 -2.289823002e+00 -2.845733822e+00 -3.145866500e+00 2.92 -2.240258722e+00 -2.795357456e+00 -3.096445858e+00 2.94 -2.191342045e+00 -2.745005649e+00 -3.046595174e+00 2.96 -2.143102500e+00 -2.694760729e+00 -2.996434013e+00 2.98 -2.095565346e+00 -2.644697166e+00 -2.946071548e+00 3.00 -2.048751958e+00 -2.594882166e+00 -2.895607317e+00 3.02 -2.002680175e+00 -2.545376229e+00 -2.845131919e+00 3.04 -1.957364624e+00 -2.496233664e+00 -2.794727670e+00 3.06 -1.912817016e+00 -2.447503069e+00 -2.744469212e+00 3.08 -1.869046420e+00 -2.399227781e+00 -2.694424083e+00 3.10 -1.826059516e+00 -2.351446288e+00 -2.644653248e+00 3.12 -1.783860819e+00 -2.304192617e+00 -2.595211590e+00 3.14 -1.742452900e+00 -2.257496689e+00 -2.546148378e+00 3.16 -1.701836572e+00 -2.211384654e+00 -2.497507689e+00 3.18 -1.662011074e+00 -2.165879200e+00 -2.449328812e+00 3.20 -1.622546227e+00 -2.120999836e+00 -2.401646622e+00 3.22 -1.573655416e+00 -2.076763161e+00 -2.354491920e+00 3.24 -1.488921165e+00 -2.033183107e+00 -2.307891764e+00 3.26 -1.381712171e+00 -1.990271169e+00 -2.261869760e+00 3.28 -1.343855852e+00 -1.948036614e+00 -2.216446348e+00 3.30 -1.314302012e+00 -1.906486677e+00 -2.171639057e+00 3.32 -1.285407936e+00 -1.865626742e+00 -2.127462743e+00 3.34 -1.257164911e+00 -1.825460511e+00 -2.083929820e+00 3.36 -1.229563745e+00 -1.785990152e+00 -2.041050460e+00 3.38 -1.202594832e+00 -1.747216324e+00 -1.998832786e+00 3.40 -1.176248213e+00 -1.708328315e+00 -1.957283055e+00 3.42 -1.150513631e+00 -1.661671550e+00 -1.916405817e+00 3.44 -1.125380585e+00 -1.590586982e+00 -1.876204070e+00 3.46 -1.100838371e+00 -1.498965546e+00 -1.836679405e+00 3.48 -1.076876129e+00 -1.461952156e+00 -1.797832129e+00 3.50 -1.053250484e+00 -1.429491842e+00 -1.759661395e+00 3.52 -1.018337380e+00 -1.397681402e+00 -1.722165307e+00 3.54 -9.203044657e-01 -1.366513651e+00 -1.685341024e+00 3.56 -6.602801166e-01 -1.335980983e+00 -1.649184861e+00 3.58 -3.920514425e-01 -1.306075432e+00 -1.613692368e+00 3.60 -3.814508338e-01 -1.276788713e+00 -1.578858419e+00 3.62 -3.711381024e-01 -1.248112276e+00 -1.544677281e+00 3.64 -3.611062486e-01 -1.220037340e+00 -1.511142685e+00 3.66 -3.513483206e-01 -1.192554940e+00 -1.478247888e+00 3.68 -3.418574288e-01 -1.165655951e+00 -1.445985733e+00 3.70 -3.326267586e-01 -1.139331132e+00 -1.414348697e+00 3.72 -3.236495810e-01 -1.113571144e+00 -1.383328947e+00 3.74 -3.149192627e-01 -1.088366583e+00 -1.352918379e+00 3.76 -3.064292737e-01 -1.063708002e+00 -1.323108659e+00 3.78 -2.981731947e-01 -1.039585933e+00 -1.293891264e+00 3.80 -2.901447223e-01 -1.015990904e+00 -1.265257511e+00 3.82 -2.823376743e-01 -9.929134620e-01 -1.237198593e+00 3.84 -2.747459934e-01 -9.703441825e-01 -1.209705603e+00 3.86 -2.673637500e-01 -9.482736889e-01 -1.182769563e+00 3.88 -2.601851449e-01 -9.266926622e-01 -1.156381442e+00 3.90 -2.532045104e-01 -9.055918536e-01 -1.130532185e+00 3.92 -2.458170627e-01 -8.832985105e-01 -1.103407258e+00 3.94 -2.305095244e-01 -8.386095821e-01 -1.051766127e+00 3.96 -1.884558448e-01 -7.131615293e-01 -9.080779716e-01 3.98 -9.884861458e-02 -4.119941371e-01 -5.434748233e-01 4.00 -7.547134494e-23 -3.005460848e-22 -3.294656597e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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