# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni3Pt # 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 6.765976407e+02 nan nan 0.88 6.112781742e+02 nan nan 0.90 5.524306757e+02 nan nan 0.92 4.993642460e+02 nan nan 0.94 4.514739255e+02 nan nan 0.96 4.082346664e+02 6.096746359e+02 6.907615265e+02 0.98 3.691764184e+02 5.556435603e+02 6.314797398e+02 1.00 3.338762007e+02 5.064980222e+02 5.774275875e+02 1.02 3.019730920e+02 4.617669116e+02 5.280935164e+02 1.04 2.731354015e+02 4.210352313e+02 4.830286417e+02 1.06 2.470599137e+02 3.839342923e+02 4.418426050e+02 1.08 2.234838755e+02 3.501285245e+02 4.041810333e+02 1.10 2.021666266e+02 3.193131869e+02 3.697344558e+02 1.12 1.828939213e+02 2.912201160e+02 3.382139314e+02 1.14 1.654696379e+02 2.656047397e+02 3.093720966e+02 1.16 1.497127805e+02 2.422520501e+02 2.829784928e+02 1.18 1.354611691e+02 2.209554163e+02 2.588218475e+02 1.20 1.225718688e+02 2.015364179e+02 2.367168997e+02 1.22 1.109107446e+02 1.838266527e+02 2.164878500e+02 1.24 1.003551959e+02 1.676778090e+02 1.979766429e+02 1.26 9.080387324e+01 1.529499292e+02 1.810355163e+02 1.28 8.215809612e+01 1.395139453e+02 1.655364317e+02 1.30 7.432853630e+01 1.272558293e+02 1.513557619e+02 1.32 6.723312311e+01 1.160717626e+02 1.383823667e+02 1.34 6.080242568e+01 1.058646984e+02 1.265106476e+02 1.36 5.497243556e+01 9.655028542e+01 1.156460931e+02 1.38 4.968458091e+01 8.804856191e+01 1.057055398e+02 1.40 4.488624193e+01 8.028409189e+01 9.660725130e+01 1.42 4.052999095e+01 7.318882297e+01 8.828139544e+01 1.44 3.657243697e+01 6.670695830e+01 8.066235908e+01 1.46 3.297695724e+01 6.078476631e+01 7.368759245e+01 1.48 2.970799981e+01 5.537119437e+01 6.730093698e+01 1.50 2.673538777e+01 5.042102916e+01 6.145243756e+01 1.52 2.403107249e+01 4.589390969e+01 5.609611727e+01 1.54 2.156984645e+01 4.175182780e+01 5.118657957e+01 1.56 1.932855248e+01 3.796021793e+01 4.668844956e+01 1.58 1.728437870e+01 3.448851876e+01 4.256602361e+01 1.60 1.542152497e+01 3.130940425e+01 3.878669689e+01 1.62 1.372304472e+01 2.839481214e+01 3.531759526e+01 1.64 1.217541383e+01 2.572435194e+01 3.213560579e+01 1.66 1.076726406e+01 2.327689519e+01 2.921614655e+01 1.68 9.486646232e+00 2.103325063e+01 2.653680283e+01 1.70 8.262353749e+00 1.897551846e+01 2.407704687e+01 1.72 7.158592427e+00 1.708570856e+01 2.181769597e+01 1.74 6.116763439e+00 1.535254389e+01 1.974261453e+01 1.76 5.134822351e+00 1.376284358e+01 1.783637602e+01 1.78 4.211532444e+00 1.230409932e+01 1.608432772e+01 1.80 3.347024504e+00 1.096745727e+01 1.447410295e+01 1.82 2.539387559e+00 9.723488401e+00 1.299331020e+01 1.84 1.786891527e+00 8.594313933e+00 1.163000715e+01 1.86 1.087734208e+00 7.512422463e+00 1.037933610e+01 1.88 4.400143013e-01 6.523044139e+00 9.231934216e+00 1.90 -1.582574456e-01 5.586552950e+00 8.124381371e+00 1.92 -7.090750446e-01 4.700910726e+00 7.130428201e+00 1.94 -1.214458546e+00 3.865575490e+00 6.187096000e+00 1.96 -1.674384223e+00 3.079915677e+00 5.293405453e+00 1.98 -2.093741705e+00 2.342601907e+00 4.447592723e+00 2.00 -2.474334611e+00 1.652233356e+00 3.649491660e+00 2.02 -2.817896245e+00 1.007346162e+00 2.897156787e+00 2.04 -3.126411936e+00 4.064232667e-01 2.190134097e+00 2.06 -3.402238008e+00 -1.522446878e-01 1.527244560e+00 2.08 -3.646802019e+00 -6.703496405e-01 9.071062043e-01 2.10 -3.862005936e+00 -1.149631220e+00 3.282974150e-01 2.12 -4.049926936e+00 -1.590818655e+00 -2.106347475e-01 2.14 -4.212126097e+00 -1.994809200e+00 -7.111681954e-01 2.16 -4.350708202e+00 -2.364631332e+00 -1.175647833e+00 2.18 -4.466329523e+00 -2.701870499e+00 -1.604382347e+00 2.20 -4.561160205e+00 -3.008099913e+00 -1.997998089e+00 2.22 -4.636824151e+00 -3.284873181e+00 -2.359392879e+00 2.24 -4.694791794e+00 -3.533719260e+00 -2.690011816e+00 2.26 -4.736470243e+00 -3.755987100e+00 -2.991288113e+00 2.28 -4.763202325e+00 -3.953196142e+00 -3.264637877e+00 2.30 -4.776221459e+00 -4.126868892e+00 -3.511455753e+00 2.32 -4.776649391e+00 -4.278442636e+00 -3.733024872e+00 2.34 -4.765963567e+00 -4.409227520e+00 -3.930626300e+00 2.36 -4.745021780e+00 -4.520347470e+00 -4.105690798e+00 2.38 -4.714848266e+00 -4.612710029e+00 -4.259651534e+00 2.40 -4.676412322e+00 -4.688197785e+00 -4.393750445e+00 2.42 -4.630998123e+00 -4.748463431e+00 -4.509730952e+00 2.44 -4.579017726e+00 -4.794137175e+00 -4.607295318e+00 2.46 -4.521238493e+00 -4.826293021e+00 -4.688303020e+00 2.48 -4.458379450e+00 -4.845971275e+00 -4.753903441e+00 2.50 -4.391101612e+00 -4.854159648e+00 -4.805154488e+00 2.52 -4.319162764e+00 -4.852714204e+00 -4.843073605e+00 2.54 -4.243211892e+00 -4.842150076e+00 -4.868637365e+00 2.56 -4.164602926e+00 -4.822743101e+00 -4.882781182e+00 2.58 -4.084732448e+00 -4.795303361e+00 -4.886327916e+00 2.60 -4.003374987e+00 -4.760596220e+00 -4.880010525e+00 2.62 -3.920033600e+00 -4.719341344e+00 -4.864831660e+00 2.64 -3.835181029e+00 -4.672213638e+00 -4.841563945e+00 2.66 -3.749684472e+00 -4.619895991e+00 -4.811075082e+00 2.68 -3.664459613e+00 -4.562970503e+00 -4.774052758e+00 2.70 -3.579054936e+00 -4.501931755e+00 -4.731007612e+00 2.72 -3.493622482e+00 -4.437287428e+00 -4.682549017e+00 2.74 -3.408363101e+00 -4.368821410e+00 -4.629248175e+00 2.76 -3.323455655e+00 -4.296822597e+00 -4.571646367e+00 2.78 -3.239059118e+00 -4.222819870e+00 -4.511098351e+00 2.80 -3.155314244e+00 -4.147079137e+00 -4.448320786e+00 2.82 -3.072345249e+00 -4.069795642e+00 -4.381557713e+00 2.84 -2.990261318e+00 -3.991268692e+00 -4.311719104e+00 2.86 -2.909157946e+00 -3.910994445e+00 -4.239726992e+00 2.88 -2.829118222e+00 -3.829991553e+00 -4.165923070e+00 2.90 -2.750213996e+00 -3.748564027e+00 -4.090615251e+00 2.92 -2.672506953e+00 -3.666916089e+00 -4.014117705e+00 2.94 -2.596050698e+00 -3.585279681e+00 -3.935983325e+00 2.96 -2.521130515e+00 -3.504646503e+00 -3.856967040e+00 2.98 -2.447527533e+00 -3.424266995e+00 -3.777494827e+00 3.00 -2.375272730e+00 -3.344262015e+00 -3.697759801e+00 3.02 -2.304391033e+00 -3.264755231e+00 -3.617938729e+00 3.04 -2.234901634e+00 -3.185856790e+00 -3.538191505e+00 3.06 -2.166810123e+00 -3.107664576e+00 -3.458663293e+00 3.08 -2.100506299e+00 -3.030265266e+00 -3.379847949e+00 3.10 -2.035699197e+00 -2.953735293e+00 -3.301475932e+00 3.12 -1.971985809e+00 -2.878141774e+00 -3.223653731e+00 3.14 -1.909140923e+00 -2.803543299e+00 -3.146476407e+00 3.16 -1.847523182e+00 -2.729990699e+00 -3.070028567e+00 3.18 -1.787290921e+00 -2.657527752e+00 -2.994385232e+00 3.20 -1.728453155e+00 -2.586191894e+00 -2.919612630e+00 3.22 -1.671039840e+00 -2.516014652e+00 -2.845768959e+00 3.24 -1.615032069e+00 -2.447019189e+00 -2.772905054e+00 3.26 -1.560407692e+00 -2.379578771e+00 -2.701065018e+00 3.28 -1.507138884e+00 -2.313467782e+00 -2.630286850e+00 3.30 -1.455214833e+00 -2.248564393e+00 -2.560602946e+00 3.32 -1.404614898e+00 -2.184885844e+00 -2.492040581e+00 3.34 -1.355318283e+00 -2.122461918e+00 -2.424622207e+00 3.36 -1.307304127e+00 -2.061217507e+00 -2.358366360e+00 3.38 -1.260546817e+00 -2.001070051e+00 -2.293290305e+00 3.40 -1.215022019e+00 -1.941896602e+00 -2.229573025e+00 3.42 -1.170729457e+00 -1.883680519e+00 -2.167484709e+00 3.44 -1.127611390e+00 -1.826577403e+00 -2.106625355e+00 3.46 -1.085597959e+00 -1.770667403e+00 -2.046997986e+00 3.48 -1.044716008e+00 -1.715975340e+00 -1.988211856e+00 3.50 -1.005006856e+00 -1.662528190e+00 -1.930206198e+00 3.52 -9.665023014e-01 -1.610310049e+00 -1.873287407e+00 3.54 -9.291591300e-01 -1.559303172e+00 -1.817531131e+00 3.56 -8.927692481e-01 -1.509485035e+00 -1.762894332e+00 3.58 -8.574172850e-01 -1.460836053e+00 -1.709417167e+00 3.60 -8.231377109e-01 -1.413349688e+00 -1.657138447e+00 3.62 -7.899593974e-01 -1.367006729e+00 -1.606041279e+00 3.64 -7.579049518e-01 -1.321784217e+00 -1.556100530e+00 3.66 -7.269919640e-01 -1.277665608e+00 -1.507298721e+00 3.68 -6.974710106e-01 -1.234639277e+00 -1.459626407e+00 3.70 -6.691013435e-01 -1.192677319e+00 -1.413061910e+00 3.72 -6.414136206e-01 -1.151767907e+00 -1.367593883e+00 3.74 -6.140741054e-01 -1.111877797e+00 -1.323214263e+00 3.76 -5.868377703e-01 -1.072963575e+00 -1.280063076e+00 3.78 -5.596265519e-01 -1.035033636e+00 -1.238042502e+00 3.80 -5.324228672e-01 -9.980304119e-01 -1.197043071e+00 3.82 -5.052410005e-01 -9.619891932e-01 -1.157068244e+00 3.84 -4.781176815e-01 -9.269831231e-01 -1.118060715e+00 3.86 -4.511046157e-01 -8.930061644e-01 -1.079946849e+00 3.88 -4.241758884e-01 -8.600094659e-01 -1.042767092e+00 3.90 -3.973858491e-01 -8.280175193e-01 -1.006555842e+00 3.92 -3.712193809e-01 -7.970664377e-01 -9.713403784e-01 3.94 -3.485866082e-01 -7.671907462e-01 -9.370554766e-01 3.96 -3.267719804e-01 -7.382353938e-01 -9.035037626e-01 3.98 -3.057848507e-01 -7.100780147e-01 -8.708692571e-01 4.00 -2.856657979e-01 -6.827018409e-01 -8.392185867e-01 4.02 -2.664408342e-01 -6.561106682e-01 -8.085530720e-01 4.04 -2.481205295e-01 -6.300092857e-01 -7.788733639e-01 4.06 -2.307032551e-01 -6.041745863e-01 -7.501787112e-01 4.08 -2.141778649e-01 -5.784320377e-01 -7.225431098e-01 4.10 -1.985259014e-01 -5.527020042e-01 -6.960954995e-01 4.12 -1.837234041e-01 -5.269859044e-01 -6.704560275e-01 4.14 -1.697423882e-01 -5.012716656e-01 -6.453032936e-01 4.16 -1.565520450e-01 -4.758851092e-01 -6.204097277e-01 4.18 -1.441197100e-01 -4.522505483e-01 -5.956166059e-01 4.20 -1.324116394e-01 -4.289006150e-01 -5.708016217e-01 4.22 -1.213936283e-01 -4.059082904e-01 -5.459516040e-01 4.24 -1.110314975e-01 -3.832622177e-01 -5.210879283e-01 4.26 -1.012914748e-01 -3.610717896e-01 -4.962464217e-01 4.28 -9.214492095e-02 -3.394602242e-01 -4.714726492e-01 4.30 -8.400996417e-02 -3.185192241e-01 -4.468068096e-01 4.32 -7.734462387e-02 -2.983145881e-01 -4.221838154e-01 4.34 -7.106147353e-02 -2.788909312e-01 -3.977773633e-01 4.36 -6.516091510e-02 -2.602756543e-01 -3.737903411e-01 4.38 -5.962134097e-02 -2.424822564e-01 -3.503784396e-01 4.40 -5.442193366e-02 -2.255131116e-01 -3.276584190e-01 4.42 -4.954283639e-02 -2.093617813e-01 -3.057150659e-01 4.44 -4.496515708e-02 -1.940149336e-01 -2.846070372e-01 4.46 -4.067096228e-02 -1.794539416e-01 -2.643717715e-01 4.48 -3.664325869e-02 -1.656561884e-01 -2.450295804e-01 4.50 -3.286596992e-02 -1.525961486e-01 -2.265870745e-01 4.52 -2.932390770e-02 -1.402462694e-01 -2.090400116e-01 4.54 -2.600273913e-02 -1.285776866e-01 -1.923756587e-01 4.56 -2.288895305e-02 -1.175608077e-01 -1.765747534e-01 4.58 -1.996982268e-02 -1.071668266e-01 -1.616131076e-01 4.60 -1.723336884e-02 -9.758468524e-02 -1.474629285e-01 4.62 -1.466832294e-02 -8.876005128e-02 -1.340938968e-01 4.64 -1.226408999e-02 -8.043771391e-02 -1.214740384e-01 4.66 -1.001071352e-02 -7.259191504e-02 -1.095704351e-01 4.68 -7.898839864e-03 -6.519768274e-02 -9.834978189e-02 4.70 -5.919684341e-03 -5.823091527e-02 -8.777883366e-02 4.72 -4.064998849e-03 -5.166843847e-02 -7.782475333e-02 4.74 -2.318234547e-03 -4.548804047e-02 -6.845537893e-02 4.76 -1.491753663e-03 -3.966849116e-02 -5.963942807e-02 4.78 -7.273928678e-04 -3.420505794e-02 -5.137025353e-02 4.80 -3.227876399e-05 -2.915979153e-02 -4.374228428e-02 4.82 -1.909787778e-06 -2.687996588e-02 -4.032009328e-02 4.84 0.000000000e+00 -2.483521631e-02 -3.725282446e-02 4.86 0.000000000e+00 -2.291371165e-02 -3.437056748e-02 4.88 0.000000000e+00 -2.110157451e-02 -3.165236177e-02 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