# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 # composition = CrNi3 # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 4.107193617e+02 nan nan 1.26 3.550785499e+02 nan nan 1.28 3.081037831e+02 nan nan 1.30 2.682308543e+02 nan nan 1.32 2.341282333e+02 nan nan 1.34 2.048389079e+02 nan nan 1.36 1.796061156e+02 3.992074725e+02 nan 1.38 1.577975109e+02 3.488316053e+02 4.496626116e+02 1.40 1.388832413e+02 3.055733461e+02 3.940944928e+02 1.42 1.224227644e+02 2.682994455e+02 3.462023930e+02 1.44 1.080500889e+02 2.361023353e+02 3.047340216e+02 1.46 9.547281938e+01 2.082130629e+02 2.686699218e+02 1.48 8.445084871e+01 1.839792777e+02 2.372180112e+02 1.50 7.477883370e+01 1.628458825e+02 2.097451774e+02 1.52 6.627923499e+01 1.443478991e+02 1.857345187e+02 1.54 5.879500851e+01 1.280982969e+02 1.647536882e+02 1.56 5.218288783e+01 1.137794198e+02 1.464367108e+02 1.58 4.631433072e+01 1.011278850e+02 1.304380476e+02 1.60 4.106717239e+01 8.992739427e+01 1.163927180e+02 1.62 3.632914074e+01 7.999295202e+01 1.040101154e+02 1.64 3.201247076e+01 7.116595485e+01 9.307732716e+01 1.66 2.805503834e+01 6.330808632e+01 8.340750646e+01 1.68 2.440598442e+01 5.629854181e+01 7.483351656e+01 1.70 2.102657462e+01 5.003362620e+01 6.720564352e+01 1.72 1.789207112e+01 4.442400999e+01 6.038953859e+01 1.74 1.498878076e+01 3.939197478e+01 5.426699607e+01 1.76 1.231337606e+01 3.486987109e+01 4.873717789e+01 1.78 9.866817491e+00 3.079811092e+01 4.370983184e+01 1.80 7.652325523e+00 2.712325230e+01 3.910621435e+01 1.82 5.672704856e+00 2.379886580e+01 3.486168448e+01 1.84 3.929584196e+00 2.079156580e+01 3.093462637e+01 1.86 2.424287472e+00 1.806926132e+01 2.729397483e+01 1.88 1.157742142e+00 1.560276444e+01 2.391392251e+01 1.90 1.242911061e-01 1.336423219e+01 2.077465483e+01 1.92 -7.011994022e-01 1.132694954e+01 1.786159310e+01 1.94 -1.347324087e+00 9.467074266e+00 1.516480160e+01 1.96 -1.842381149e+00 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-3.441546447e+00 -3.977671082e+00 -4.084065856e+00 2.70 -3.399777295e+00 -3.945158500e+00 -4.064805856e+00 2.72 -3.358812574e+00 -3.910621853e+00 -4.042519114e+00 2.74 -3.318863612e+00 -3.874187494e+00 -4.017419331e+00 2.76 -3.280018813e+00 -3.836028484e+00 -3.989675848e+00 2.78 -3.242076258e+00 -3.796317224e+00 -3.959351487e+00 2.80 -3.204861931e+00 -3.755225076e+00 -3.926497128e+00 2.82 -3.168266368e+00 -3.712951060e+00 -3.891203070e+00 2.84 -3.132181070e+00 -3.669807824e+00 -3.853727966e+00 2.86 -3.096499841e+00 -3.626135674e+00 -3.814369876e+00 2.88 -3.061118955e+00 -3.582251771e+00 -3.773423227e+00 2.90 -3.025935111e+00 -3.538397569e+00 -3.731178724e+00 2.92 -2.990846033e+00 -3.494754625e+00 -3.687923224e+00 2.94 -2.955749434e+00 -3.451421293e+00 -3.643939584e+00 2.96 -2.920542924e+00 -3.408473357e+00 -3.599499206e+00 2.98 -2.885115811e+00 -3.365923772e+00 -3.554782804e+00 3.00 -2.849317050e+00 -3.323744726e+00 -3.509913466e+00 3.02 -2.812964184e+00 -3.281906350e+00 -3.465086547e+00 3.04 -2.775873810e+00 -3.240377272e+00 -3.420589594e+00 3.06 -2.737862799e+00 -3.199124498e+00 -3.376713705e+00 3.08 -2.698748297e+00 -3.158077579e+00 -3.333693677e+00 3.10 -2.658347736e+00 -3.117021371e+00 -3.291549936e+00 3.12 -2.616478832e+00 -3.075747583e+00 -3.250249333e+00 3.14 -2.572959692e+00 -3.034237578e+00 -3.209758699e+00 3.16 -2.527623215e+00 -2.992541165e+00 -3.170044836e+00 3.18 -2.480332126e+00 -2.950715072e+00 -3.131074506e+00 3.20 -2.430953048e+00 -2.908847510e+00 -3.092814417e+00 3.22 -2.379414835e+00 -2.867070027e+00 -3.055231210e+00 3.24 -2.325984149e+00 -2.825517356e+00 -3.018291437e+00 3.26 -2.271042368e+00 -2.784324451e+00 -2.981961541e+00 3.28 -2.214971275e+00 -2.743626492e+00 -2.946207824e+00 3.30 -2.158152974e+00 -2.703558893e+00 -2.910996426e+00 3.32 -2.100969884e+00 -2.664257299e+00 -2.876287934e+00 3.34 -2.043804752e+00 -2.625834369e+00 -2.842013715e+00 3.36 -1.987040649e+00 -2.588211570e+00 -2.808065574e+00 3.38 -1.931060976e+00 -2.551211100e+00 -2.774304840e+00 3.40 -1.876249464e+00 -2.514654388e+00 -2.740577652e+00 3.42 -1.822990066e+00 -2.478362796e+00 -2.706729000e+00 3.44 -1.771665089e+00 -2.442157443e+00 -2.672602699e+00 3.46 -1.722476744e+00 -2.405859648e+00 -2.638041981e+00 3.48 -1.675295822e+00 -2.369290965e+00 -2.602889502e+00 3.50 -1.629957823e+00 -2.332273190e+00 -2.566987272e+00 3.52 -1.586297832e+00 -2.294628351e+00 -2.530176584e+00 3.54 -1.544148226e+00 -2.256178712e+00 -2.492297935e+00 3.56 -1.503340963e+00 -2.216748603e+00 -2.453190945e+00 3.58 -1.463708347e+00 -2.176212580e+00 -2.412694260e+00 3.60 -1.425083041e+00 -2.134541099e+00 -2.370706747e+00 3.62 -1.387298046e+00 -2.091871071e+00 -2.327371886e+00 3.64 -1.350186709e+00 -2.048380492e+00 -2.282900113e+00 3.66 -1.313582713e+00 -2.004247575e+00 -2.237504971e+00 3.68 -1.277328845e+00 -1.959650750e+00 -2.191402305e+00 3.70 -1.241379792e+00 -1.914768656e+00 -2.144827758e+00 3.72 -1.205767326e+00 -1.869780120e+00 -2.098024766e+00 3.74 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-1.389131215e+00 4.10 -6.308649441e-01 -1.141871157e+00 -1.355726748e+00 4.12 -6.068712742e-01 -1.109853666e+00 -1.322242358e+00 4.14 -5.834757551e-01 -1.078125041e+00 -1.288675782e+00 4.16 -5.606577681e-01 -1.046698327e+00 -1.255048611e+00 4.18 -5.383781195e-01 -1.015586009e+00 -1.221382601e+00 4.20 -5.166146960e-01 -9.847999529e-01 -1.187699699e+00 4.22 -4.951954023e-01 -9.543512797e-01 -1.154021984e+00 4.24 -4.741538531e-01 -9.242502008e-01 -1.120371773e+00 4.26 -4.540018424e-01 -8.945058433e-01 -1.086771493e+00 4.28 -4.350457206e-01 -8.651260524e-01 -1.053243851e+00 4.30 -4.161521992e-01 -8.361170747e-01 -1.019811555e+00 4.32 -3.964332172e-01 -8.074823922e-01 -9.864960875e-01 4.34 -3.755347690e-01 -7.792227077e-01 -9.533182503e-01 4.36 -3.535410705e-01 -7.513362605e-01 -9.202990524e-01 4.38 -3.319126820e-01 -7.238188134e-01 -8.874597154e-01 4.40 -3.116843653e-01 -6.966622181e-01 -8.548216965e-01 4.42 -2.933867514e-01 -6.698536884e-01 -8.224067160e-01 4.44 -2.774117383e-01 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-3.183344563e-04 5.16 -6.862890557e-06 -2.651850718e-05 -3.977831125e-05 5.18 2.053414957e-10 4.203796732e-10 8.316330578e-10 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 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 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