# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-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 6.334679822e+02 nan nan 0.86 5.867021973e+02 nan nan 0.88 5.432053562e+02 nan nan 0.90 5.027567393e+02 nan nan 0.92 4.651501407e+02 6.358174656e+02 nan 0.94 4.301929339e+02 5.921110772e+02 6.129111692e+02 0.96 3.977051971e+02 5.512506638e+02 5.727527276e+02 0.98 3.675188930e+02 5.130571375e+02 5.350715287e+02 1.00 3.394771022e+02 4.773623846e+02 4.997207001e+02 1.02 3.134333034e+02 4.440086073e+02 4.665618059e+02 1.04 2.892507004e+02 4.128477055e+02 4.354643755e+02 1.06 2.668015918e+02 3.837406944e+02 4.063054577e+02 1.08 2.459667805e+02 3.565571564e+02 3.789691992e+02 1.10 2.266350204e+02 3.311747250e+02 3.533464460e+02 1.12 2.087024998e+02 3.074785999e+02 3.293343670e+02 1.14 1.920723559e+02 2.853610897e+02 3.068360979e+02 1.16 1.766542219e+02 2.647211827e+02 2.857604050e+02 1.18 1.623638019e+02 2.454641421e+02 2.660213670e+02 1.20 1.491224738e+02 2.275011261e+02 2.475380745e+02 1.22 1.368569171e+02 2.107488297e+02 2.302343465e+02 1.24 1.254987649e+02 1.951291486e+02 2.140384620e+02 1.26 1.149842783e+02 1.805688624e+02 1.988829066e+02 1.28 1.052540413e+02 1.669993368e+02 1.847041328e+02 1.30 9.625267595e+01 1.543562440e+02 1.714423348e+02 1.32 8.792857537e+01 1.425792992e+02 1.590412340e+02 1.34 8.023365418e+01 1.316120135e+02 1.474478778e+02 1.36 7.312311514e+01 1.214014606e+02 1.366124490e+02 1.38 6.655523078e+01 1.118980586e+02 1.264880860e+02 1.40 6.049113921e+01 1.030553640e+02 1.170307128e+02 1.42 5.489465320e+01 9.482987881e+01 1.081988792e+02 1.44 4.973208168e+01 8.718086846e+01 9.995360860e+01 1.46 4.497206275e+01 8.007019145e+01 9.225825584e+01 1.48 4.058540774e+01 7.346213875e+01 8.507837199e+01 1.50 3.654495532e+01 6.732328313e+01 7.838157720e+01 1.52 3.282543516e+01 6.162233749e+01 7.213744049e+01 1.54 2.940334059e+01 5.633002192e+01 6.631736651e+01 1.56 2.625680952e+01 5.141893860e+01 6.089448850e+01 1.58 2.336551324e+01 4.686345451e+01 5.584356745e+01 1.60 2.071055250e+01 4.263959112e+01 5.114089691e+01 1.62 1.827436044e+01 3.872492090e+01 4.676421318e+01 1.64 1.604061194e+01 3.509847003e+01 4.269261065e+01 1.66 1.399413897e+01 3.174062719e+01 3.890646193e+01 1.68 1.212085150e+01 2.863305779e+01 3.538734253e+01 1.70 1.040766371e+01 2.575862355e+01 3.211795987e+01 1.72 8.842425031e+00 2.310130698e+01 2.908208630e+01 1.74 7.413855889e+00 2.064614044e+01 2.626449599e+01 1.76 6.111487598e+00 1.837913972e+01 2.365090544e+01 1.78 4.925606384e+00 1.628724151e+01 2.122791742e+01 1.80 3.847201069e+00 1.435824489e+01 1.898296809e+01 1.82 2.867914334e+00 1.258075638e+01 1.690427722e+01 1.84 1.979997188e+00 1.094413837e+01 1.498080126e+01 1.86 1.176266571e+00 9.438460760e+00 1.320218913e+01 1.88 4.500657459e-01 8.054455635e+00 1.155874060e+01 1.90 -2.047725672e-01 6.783474730e+00 1.004136704e+01 1.92 -7.939606139e-01 5.617449538e+00 8.641554467e+00 1.94 -1.322787652e+00 4.548853935e+00 7.351328793e+00 1.96 -1.796149851e+00 3.570669127e+00 6.163223044e+00 1.98 -2.218578126e+00 2.676350788e+00 5.070246520e+00 2.00 -2.594264093e+00 1.859798271e+00 4.065855774e+00 2.02 -2.927084237e+00 1.115325748e+00 3.143927275e+00 2.04 -3.220622421e+00 4.376351696e-01 2.298731697e+00 2.06 -3.478190853e+00 -1.782090735e-01 1.524909715e+00 2.08 -3.702849604e+00 -7.368038804e-01 8.174492345e-01 2.10 -3.897424782e+00 -1.242429676e+00 1.716639683e-01 2.12 -4.064525440e+00 -1.699071229e+00 -4.168267144e-01 2.14 -4.206559324e+00 -2.110437152e+00 -9.521167423e-01 2.16 -4.325747505e+00 -2.479978158e+00 -1.438031165e+00 2.18 -4.424138015e+00 -2.810904148e+00 -1.878142916e+00 2.20 -4.503618505e+00 -3.106200215e+00 -2.275788564e+00 2.22 -4.565928036e+00 -3.368641617e+00 -2.634083131e+00 2.24 -4.612668030e+00 -3.600807786e+00 -2.955934013e+00 2.26 -4.645312449e+00 -3.805095445e+00 -3.244054060e+00 2.28 -4.665217261e+00 -3.983730869e+00 -3.500973873e+00 2.30 -4.673629231e+00 -4.138781363e+00 -3.729053354e+00 2.32 -4.671694085e+00 -4.272165993e+00 -3.930492553e+00 2.34 -4.660464101e+00 -4.385665617e+00 -4.107341862e+00 2.36 -4.640905143e+00 -4.480932273e+00 -4.261511578e+00 2.38 -4.613903210e+00 -4.559497949e+00 -4.394780894e+00 2.40 -4.580270496e+00 -4.622782779e+00 -4.508806328e+00 2.42 -4.540751023e+00 -4.672102707e+00 -4.605129643e+00 2.44 -4.496025865e+00 -4.708676644e+00 -4.685185277e+00 2.46 -4.446717990e+00 -4.733633159e+00 -4.750307313e+00 2.48 -4.393396755e+00 -4.748016725e+00 -4.801736020e+00 2.50 -4.336582067e+00 -4.752793552e+00 -4.840623985e+00 2.52 -4.276748240e+00 -4.748857038e+00 -4.868041871e+00 2.54 -4.214327575e+00 -4.737032852e+00 -4.884983810e+00 2.56 -4.149713665e+00 -4.718083680e+00 -4.892372458e+00 2.58 -4.083264465e+00 -4.692713661e+00 -4.891063739e+00 2.60 -4.015305128e+00 -4.661572516e+00 -4.881851284e+00 2.62 -3.946130632e+00 -4.625259406e+00 -4.865470598e+00 2.64 -3.876008210e+00 -4.584326527e+00 -4.842602955e+00 2.66 -3.805179596e+00 -4.539282466e+00 -4.813879055e+00 2.68 -3.733863103e+00 -4.490595329e+00 -4.779882439e+00 2.70 -3.662255546e+00 -4.438695650e+00 -4.741152693e+00 2.72 -3.590534012e+00 -4.383979116e+00 -4.698188448e+00 2.74 -3.518857500e+00 -4.326809089e+00 -4.651450179e+00 2.76 -3.447368436e+00 -4.267518969e+00 -4.601362835e+00 2.78 -3.376194069e+00 -4.206414388e+00 -4.548318289e+00 2.80 -3.305447757e+00 -4.143775254e+00 -4.492677637e+00 2.82 -3.235230158e+00 -4.079857654e+00 -4.434773343e+00 2.84 -3.165630324e+00 -4.014895623e+00 -4.374911245e+00 2.86 -3.096726711e+00 -3.949102797e+00 -4.313372433e+00 2.88 -3.028588109e+00 -3.882673940e+00 -4.250414997e+00 2.90 -2.961274500e+00 -3.815786370e+00 -4.186275665e+00 2.92 -2.894837843e+00 -3.748601287e+00 -4.121171334e+00 2.94 -2.829322801e+00 -3.681265001e+00 -4.055300493e+00 2.96 -2.764767406e+00 -3.613910080e+00 -3.988844557e+00 2.98 -2.701203674e+00 -3.546656409e+00 -3.921969108e+00 3.00 -2.638658165e+00 -3.479612177e+00 -3.854825055e+00 3.02 -2.577152502e+00 -3.412874799e+00 -3.787549718e+00 3.04 -2.516703844e+00 -3.346531758e+00 -3.720267828e+00 3.06 -2.457325320e+00 -3.280661401e+00 -3.653092476e+00 3.08 -2.399026428e+00 -3.215333667e+00 -3.586125982e+00 3.10 -2.341813402e+00 -3.150610765e+00 -3.519460709e+00 3.12 -2.285689541e+00 -3.086547806e+00 -3.453179983e+00 3.14 -2.230655520e+00 -3.023193381e+00 -3.387375379e+00 3.16 -2.176709666e+00 -2.960590105e+00 -3.322188629e+00 3.18 -2.123848215e+00 -2.898775114e+00 -3.257657660e+00 3.20 -2.072065541e+00 -2.837780526e+00 -3.193582988e+00 3.22 -2.021354375e+00 -2.777633872e+00 -3.130190285e+00 3.24 -1.971705992e+00 -2.718358488e+00 -3.067524342e+00 3.26 -1.923110391e+00 -2.659973884e+00 -3.005621206e+00 3.28 -1.875556453e+00 -2.602496078e+00 -2.944512170e+00 3.30 -1.829032089e+00 -2.545937910e+00 -2.884224172e+00 3.32 -1.783524370e+00 -2.490309328e+00 -2.824780151e+00 3.34 -1.739019646e+00 -2.435617655e+00 -2.766199395e+00 3.36 -1.695503659e+00 -2.381867833e+00 -2.708497845e+00 3.38 -1.652961635e+00 -2.329062651e+00 -2.651688392e+00 3.40 -1.611378378e+00 -2.277202948e+00 -2.595781140e+00 3.42 -1.570738345e+00 -2.226287807e+00 -2.540783659e+00 3.44 -1.531025724e+00 -2.176314731e+00 -2.486701213e+00 3.46 -1.492224491e+00 -2.127279806e+00 -2.433536974e+00 3.48 -1.454318474e+00 -2.079177845e+00 -2.381292214e+00 3.50 -1.417291405e+00 -2.032002530e+00 -2.329966492e+00 3.52 -1.381126960e+00 -1.985746533e+00 -2.279557817e+00 3.54 -1.345808808e+00 -1.940401632e+00 -2.230062806e+00 3.56 -1.311320644e+00 -1.895958818e+00 -2.181476820e+00 3.58 -1.277646221e+00 -1.852408388e+00 -2.133794103e+00 3.60 -1.244772482e+00 -1.809740035e+00 -2.087007895e+00 3.62 -1.213260287e+00 -1.767942928e+00 -2.041110547e+00 3.64 -1.187767715e+00 -1.727005782e+00 -1.996093622e+00 3.66 -1.219954957e+00 -1.686916933e+00 -1.951947987e+00 3.68 -1.275061176e+00 -1.647664390e+00 -1.908663899e+00 3.70 -1.249310075e+00 -1.609235893e+00 -1.866231084e+00 3.72 -1.224073898e+00 -1.571618968e+00 -1.824638811e+00 3.74 -1.199340221e+00 -1.534800966e+00 -1.783875951e+00 3.76 -1.175097006e+00 -1.498769107e+00 -1.743931044e+00 3.78 -1.151332603e+00 -1.463510518e+00 -1.704792348e+00 3.80 -1.128035741e+00 -1.429012265e+00 -1.666447895e+00 3.82 -1.105195528e+00 -1.395262646e+00 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