# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1 # composition = Fe3Ni # 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 4.926296547e+02 nan nan 0.92 4.449193004e+02 nan nan 0.94 4.020081036e+02 nan nan 0.96 3.633405720e+02 nan nan 0.98 3.284485635e+02 nan nan 1.00 2.970187863e+02 4.488694239e+02 5.142184930e+02 1.02 2.686827517e+02 4.098357751e+02 4.696216765e+02 1.04 2.430929560e+02 3.742690441e+02 4.288376808e+02 1.06 2.199930226e+02 3.418224311e+02 3.916103539e+02 1.08 1.990970209e+02 3.121455124e+02 3.576850956e+02 1.10 1.800745411e+02 2.849798913e+02 3.268028934e+02 1.12 1.627569316e+02 2.600725334e+02 2.987085688e+02 1.14 1.470016387e+02 2.372298378e+02 2.731450373e+02 1.16 1.326685628e+02 2.162684877e+02 2.498579717e+02 1.18 1.196333520e+02 1.970383299e+02 2.285249431e+02 1.20 1.077886955e+02 1.794224684e+02 2.089436604e+02 1.22 9.700878692e+01 1.633102608e+02 1.909666981e+02 1.24 8.716900520e+01 1.485816509e+02 1.744463754e+02 1.26 7.819091435e+01 1.350741072e+02 1.592289932e+02 1.28 7.002104869e+01 1.226734254e+02 1.451812582e+02 1.30 6.260937627e+01 1.112756655e+02 1.322098709e+02 1.32 5.590737980e+01 1.007926545e+02 1.202463522e+02 1.34 4.986154279e+01 9.116192323e+01 1.092321646e+02 1.36 4.441217989e+01 8.233146638e+01 9.912554497e+01 1.38 3.949487562e+01 7.423950544e+01 8.988341147e+01 1.40 3.504673763e+01 6.682759645e+01 8.144635185e+01 1.42 3.101906479e+01 6.004363703e+01 7.374984623e+01 1.44 2.737818238e+01 5.384494088e+01 6.670215689e+01 1.46 2.409730243e+01 4.819464524e+01 6.023523233e+01 1.48 2.115197162e+01 4.305684587e+01 5.430050621e+01 1.50 1.851743053e+01 3.839739028e+01 4.885736503e+01 1.52 1.617091154e+01 3.418330935e+01 4.387425653e+01 1.54 1.408946006e+01 3.038649445e+01 3.932735883e+01 1.56 1.225305263e+01 2.697955347e+01 3.518975379e+01 1.58 1.064444040e+01 2.393287069e+01 3.143268731e+01 1.60 9.244735745e+00 2.121468181e+01 2.802395506e+01 1.62 8.020501814e+00 1.879419686e+01 2.493314409e+01 1.64 6.897563957e+00 1.664297364e+01 2.213222768e+01 1.66 5.743055497e+00 1.473411663e+01 1.959762641e+01 1.68 4.682739645e+00 1.304243300e+01 1.730965062e+01 1.70 3.713292495e+00 1.154327680e+01 1.524935104e+01 1.72 2.829067082e+00 1.021519808e+01 1.339974644e+01 1.74 2.027670132e+00 9.034918994e+00 1.174804354e+01 1.76 1.306492580e+00 7.965313038e+00 1.028243529e+01 1.78 6.614213632e-01 6.968906029e+00 8.990698135e+00 1.80 9.024010493e-02 5.896684100e+00 7.857267901e+00 1.82 -4.099746157e-01 4.900740820e+00 6.856355809e+00 1.84 -8.465929539e-01 3.980659851e+00 5.893044311e+00 1.86 -1.227297028e+00 3.132633422e+00 4.938132908e+00 1.88 -1.560700995e+00 2.352590141e+00 4.076420258e+00 1.90 -1.855950619e+00 1.637951387e+00 3.299911756e+00 1.92 -2.120262264e+00 9.860306689e-01 2.596536535e+00 1.94 -2.360568914e+00 3.957060587e-01 1.959109262e+00 1.96 -2.583948668e+00 -1.343571580e-01 1.382444213e+00 1.98 -2.797738892e+00 -6.073070746e-01 8.617709303e-01 2.00 -3.002066021e+00 -1.026879835e+00 3.921640156e-01 2.02 -3.196159392e+00 -1.403451582e+00 -4.186405216e-02 2.04 -3.378900363e+00 -1.745329578e+00 -4.529640160e-01 2.06 -3.546539531e+00 -2.052431555e+00 -8.406946185e-01 2.08 -3.696238456e+00 -2.326215361e+00 -1.204367373e+00 2.10 -3.825515265e+00 -2.568390838e+00 -1.543515937e+00 2.12 -3.932609187e+00 -2.781567807e+00 -1.857781043e+00 2.14 -4.018875867e+00 -2.969126597e+00 -2.146920959e+00 2.16 -4.085782782e+00 -3.135339463e+00 -2.411743660e+00 2.18 -4.134595300e+00 -3.284150782e+00 -2.654366691e+00 2.20 -4.166846877e+00 -3.418695609e+00 -2.877736614e+00 2.22 -4.184276828e+00 -3.541331956e+00 -3.084542889e+00 2.24 -4.189726394e+00 -3.652561331e+00 -3.274425757e+00 2.26 -4.186021063e+00 -3.752504654e+00 -3.446663721e+00 2.28 -4.174247081e+00 -3.840973831e+00 -3.600924903e+00 2.30 -4.155152239e+00 -3.917916618e+00 -3.737030861e+00 2.32 -4.129297073e+00 -3.983454129e+00 -3.854662092e+00 2.34 -4.096897701e+00 -4.037032097e+00 -3.953045575e+00 2.36 -4.058105653e+00 -4.078019933e+00 -4.031497171e+00 2.38 -4.013093215e+00 -4.106785455e+00 -4.090705612e+00 2.40 -3.962045816e+00 -4.124767224e+00 -4.133121421e+00 2.42 -3.904985378e+00 -4.133157017e+00 -4.161007315e+00 2.44 -3.841886949e+00 -4.132943834e+00 -4.176523547e+00 2.46 -3.772744733e+00 -4.125028849e+00 -4.181861612e+00 2.48 -3.698675320e+00 -4.110329478e+00 -4.178904966e+00 2.50 -3.620842861e+00 -4.089832407e+00 -4.169496501e+00 2.52 -3.539971084e+00 -4.064426740e+00 -4.155298234e+00 2.54 -3.456721568e+00 -4.034564943e+00 -4.137235174e+00 2.56 -3.371809075e+00 -4.000596380e+00 -4.116055310e+00 2.58 -3.285958535e+00 -3.962867118e+00 -4.092515557e+00 2.60 -3.199901048e+00 -3.921632058e+00 -4.067380427e+00 2.62 -3.114337583e+00 -3.876976130e+00 -4.041143832e+00 2.64 -3.029830827e+00 -3.828814864e+00 -4.013415303e+00 2.66 -2.946911297e+00 -3.777093702e+00 -3.983789166e+00 2.68 -2.866073258e+00 -3.721842632e+00 -3.951892804e+00 2.70 -2.787811701e+00 -3.663955478e+00 -3.917354084e+00 2.72 -2.712357802e+00 -3.603792701e+00 -3.879833153e+00 2.74 -2.639541593e+00 -3.541655582e+00 -3.839166723e+00 2.76 -2.569160663e+00 -3.477880607e+00 -3.795244388e+00 2.78 -2.500931399e+00 -3.412807091e+00 -3.748489384e+00 2.80 -2.434463656e+00 -3.346783386e+00 -3.699385621e+00 2.82 -2.369592786e+00 -3.280153981e+00 -3.647969342e+00 2.84 -2.306138467e+00 -3.213212585e+00 -3.594199215e+00 2.86 -2.243907164e+00 -3.146242757e+00 -3.538015800e+00 2.88 -2.182766341e+00 -3.079465494e+00 -3.479361266e+00 2.90 -2.122879972e+00 -3.012913998e+00 -3.418187528e+00 2.92 -2.064157479e+00 -2.946607352e+00 -3.354552969e+00 2.94 -2.006463474e+00 -2.880549161e+00 -3.288584582e+00 2.96 -1.949660851e+00 -2.814487058e+00 -3.220408854e+00 2.98 -1.893610686e+00 -2.748331213e+00 -3.150148542e+00 3.00 -1.838171996e+00 -2.682061350e+00 -3.077896327e+00 3.02 -1.783214787e+00 -2.615680552e+00 -3.003757576e+00 3.04 -1.728698065e+00 -2.549294910e+00 -2.927998766e+00 3.06 -1.674773305e+00 -2.483002687e+00 -2.850925693e+00 3.08 -1.621638341e+00 -2.416860955e+00 -2.772844003e+00 3.10 -1.569483682e+00 -2.350915395e+00 -2.694063722e+00 3.12 -1.518496194e+00 -2.285251835e+00 -2.614893365e+00 3.14 -1.468857005e+00 -2.220206973e+00 -2.535637199e+00 3.16 -1.420687885e+00 -2.155906318e+00 -2.456594230e+00 3.18 -1.374047226e+00 -2.092432237e+00 -2.378056463e+00 3.20 -1.328985474e+00 -2.029865524e+00 -2.300302409e+00 3.22 -1.285547384e+00 -1.968294478e+00 -2.223627235e+00 3.24 -1.243771266e+00 -1.907876893e+00 -2.148592048e+00 3.26 -1.203688481e+00 -1.848802545e+00 -2.075565094e+00 3.28 -1.165323248e+00 -1.791263491e+00 -2.004856929e+00 3.30 -1.128690792e+00 -1.735452043e+00 -1.936778271e+00 3.32 -1.093781842e+00 -1.681516257e+00 -1.871576730e+00 3.34 -1.060513883e+00 -1.629432867e+00 -1.809248079e+00 3.36 -1.028777936e+00 -1.579134057e+00 -1.749734400e+00 3.38 -9.984530118e-01 -1.530549625e+00 -1.692982411e+00 3.40 -9.694080931e-01 -1.483606824e+00 -1.638897927e+00 3.42 -9.414973790e-01 -1.438230193e+00 -1.587287427e+00 3.44 -9.145612316e-01 -1.394341307e+00 -1.538071832e+00 3.46 -8.884435894e-01 -1.351858556e+00 -1.491181192e+00 3.48 -8.630176241e-01 -1.310703811e+00 -1.446544978e+00 3.50 -8.381053782e-01 -1.270846722e+00 -1.404092190e+00 3.52 -8.134737956e-01 -1.232266902e+00 -1.363737122e+00 3.54 -7.890754835e-01 -1.194902030e+00 -1.325336689e+00 3.56 -7.649030328e-01 -1.158675729e+00 -1.288733091e+00 3.58 -7.409002729e-01 -1.123506645e+00 -1.253767905e+00 3.60 -7.170055094e-01 -1.089307656e+00 -1.220282163e+00 3.62 -6.932139909e-01 -1.055986515e+00 -1.188116166e+00 3.64 -6.695200122e-01 -1.023443282e+00 -1.157109407e+00 3.66 -6.459233995e-01 -9.915782185e-01 -1.127100951e+00 3.68 -6.223823083e-01 -9.603030310e-01 -1.097928551e+00 3.70 -5.988394306e-01 -9.295313021e-01 -1.069429142e+00 3.72 -5.752412780e-01 -8.991922930e-01 -1.041463855e+00 3.74 -5.515601693e-01 -8.692805094e-01 -1.013991514e+00 3.76 -5.277755260e-01 -8.398067312e-01 -9.869948301e-01 3.78 -5.038870849e-01 -8.107829271e-01 -9.604567720e-01 3.80 -4.799432871e-01 -7.822183234e-01 -9.343598994e-01 3.82 -4.559995128e-01 -7.541102838e-01 -9.086845088e-01 3.84 -4.321107473e-01 -7.265080793e-01 -8.834094069e-01 3.86 -4.083343005e-01 -6.993414646e-01 -8.585148743e-01 3.88 -3.847348891e-01 -6.726571947e-01 -8.340096382e-01 3.90 -3.613796270e-01 -6.463835381e-01 -8.097768120e-01 3.92 -3.383339002e-01 -6.206004191e-01 -7.858527291e-01 3.94 -3.156566220e-01 -5.953343847e-01 -7.620969497e-01 3.96 -2.934227794e-01 -5.705878221e-01 -7.385934912e-01 3.98 -2.716732770e-01 -5.463454078e-01 -7.153940420e-01 4.00 -2.503817444e-01 -5.223998047e-01 -6.925141690e-01 4.02 -2.294152115e-01 -5.000736312e-01 -6.699557806e-01 4.04 -2.101396375e-01 -4.774555650e-01 -6.477610343e-01 4.06 -1.934895974e-01 -4.515642211e-01 -6.259549321e-01 4.08 -1.764936991e-01 -4.249410625e-01 -6.045740522e-01 4.10 -1.565396818e-01 -4.010702520e-01 -5.836169003e-01 4.12 -1.329389545e-01 -3.808134460e-01 -5.630527531e-01 4.14 -1.074433886e-01 -3.638955731e-01 -5.428332403e-01 4.16 -8.314346000e-02 -3.494965789e-01 -5.228962928e-01 4.18 -6.174527570e-02 -3.359495423e-01 -5.031664469e-01 4.20 -4.396083806e-02 -3.228032519e-01 -4.835530022e-01 4.22 -2.994580245e-02 -3.097911120e-01 -4.639725559e-01 4.24 -1.967855856e-02 -2.968656598e-01 -4.444324767e-01 4.26 -1.303491915e-02 -2.840335151e-01 -4.249628774e-01 4.28 -9.893980435e-03 -2.713012372e-01 -4.055937800e-01 4.30 -9.136636633e-03 -2.586760807e-01 -3.863562499e-01 4.32 -8.634359105e-03 -2.461631526e-01 -3.672781304e-01 4.34 -8.306258701e-03 -2.337708703e-01 -3.483918161e-01 4.36 -8.126644938e-03 -2.215096852e-01 -3.297229120e-01 4.38 -8.070563465e-03 -2.094003098e-01 -3.113024108e-01 4.40 -8.113075831e-03 -1.974643594e-01 -2.931622113e-01 4.42 -8.229243585e-03 -1.857090113e-01 -2.753125551e-01 4.44 -8.394128277e-03 -1.741830650e-01 -2.578261176e-01 4.46 -8.582791457e-03 -1.627077541e-01 -2.404342246e-01 4.48 -8.770548607e-03 -1.514482506e-01 -2.233841102e-01 4.50 -8.942995162e-03 -1.408624292e-01 -2.073620622e-01 4.52 -9.099321729e-03 -1.313891979e-01 -1.930259186e-01 4.54 -9.239652171e-03 -1.225374934e-01 -1.796385599e-01 4.56 -9.364110356e-03 -1.129628424e-01 -1.651827522e-01 4.58 -9.472820147e-03 -1.018937672e-01 -1.485007549e-01 4.60 -9.565905409e-03 -8.902096802e-02 -1.291280691e-01 4.62 -9.643490009e-03 -7.479487668e-02 -1.077392311e-01 4.64 -9.705697810e-03 -6.057410362e-02 -8.637048744e-02 4.66 -9.752652678e-03 -4.733669131e-02 -6.648720883e-02 4.68 -9.784478479e-03 -3.567282870e-02 -4.897298566e-02 4.70 -9.801299072e-03 -2.588687980e-02 -3.428267091e-02 4.72 -9.803517027e-03 -1.808749386e-02 -2.257754546e-02 4.74 -9.792649654e-03 -1.226736051e-02 -1.384495071e-02 4.76 -9.770492971e-03 -8.366906688e-03 -7.993834055e-03 4.78 -9.738842993e-03 -6.327298739e-03 -4.934421039e-03 4.80 -9.699495732e-03 -5.878187710e-03 -4.260754496e-03 4.82 -9.654247205e-03 -5.717394508e-03 -4.019564692e-03 4.84 -9.604893423e-03 -5.647162210e-03 -3.914216246e-03 4.86 -9.553230402e-03 -5.655838031e-03 -3.927229978e-03 4.88 -9.501054155e-03 -5.731769183e-03 -4.041126705e-03 4.90 -9.450160697e-03 -5.863302877e-03 -4.238427247e-03 4.92 -9.402346028e-03 -6.038786328e-03 -4.501652422e-03 4.94 -9.359030273e-03 -6.246566746e-03 -4.813323050e-03 4.96 -9.320269630e-03 -6.474991346e-03 -5.155959950e-03 4.98 -9.285811039e-03 -6.712407339e-03 -5.512083940e-03 5.00 -9.255401438e-03 -6.947161920e-03 -5.864215811e-03 5.02 -9.228787765e-03 -7.169594927e-03 -6.197865321e-03 5.04 -9.205716958e-03 -7.378016368e-03 -6.510497484e-03 5.06 -9.185935956e-03 -7.572728898e-03 -6.802566278e-03 5.08 -9.169191696e-03 -7.754035150e-03 -7.074525656e-03 5.10 -9.155231116e-03 -7.922237759e-03 -7.326829569e-03 5.12 -9.143801155e-03 -8.077639360e-03 -7.559931970e-03 5.14 -9.134648751e-03 -8.220542587e-03 -7.774286811e-03 5.16 -9.127520841e-03 -8.351250074e-03 -7.970348042e-03 5.18 -9.122164365e-03 -8.470064457e-03 -8.148569617e-03 5.20 -9.118326260e-03 -8.577288371e-03 -8.309405487e-03 5.22 -9.115753465e-03 -8.673224449e-03 -8.453309604e-03 5.24 -9.114192916e-03 -8.758175326e-03 -8.580735919e-03 5.26 -9.113391554e-03 -8.832443636e-03 -8.692138386e-03 5.28 -9.113096315e-03 -8.896332016e-03 -8.787970955e-03 5.30 -9.113054138e-03 -8.950143098e-03 -8.868687578e-03 5.32 -9.113054138e-03 -8.994291990e-03 -8.934910916e-03 5.34 -9.113054138e-03 -9.029643686e-03 -8.987938459e-03 5.36 -9.113054138e-03 -9.057175651e-03 -9.029236408e-03 5.38 -9.113054138e-03 -9.077865353e-03 -9.060270961e-03 5.40 -9.113054138e-03 -9.092690258e-03 -9.082508318e-03 5.42 -9.113054138e-03 -9.102627832e-03 -9.097414678e-03 5.44 -9.113054138e-03 -9.108655540e-03 -9.106456241e-03 5.46 -9.113054138e-03 -9.111750850e-03 -9.111099206e-03 5.48 -9.113054138e-03 -9.112891227e-03 -9.112809772e-03 5.50 -9.113054138e-03 -9.113054140e-03 -9.113054140e-03 5.52 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.54 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.56 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.58 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.60 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.62 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.64 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.66 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.68 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.70 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.72 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.74 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.76 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.78 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.80 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.82 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.84 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.86 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.88 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.90 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.92 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.94 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.96 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 5.98 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03 6.00 -9.113054138e-03 -9.113054138e-03 -9.113054138e-03